 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_wB97XD_augccpVDZ.in
 Output=26_junionone_conformer02_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-26038.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     26050.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer02_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0187991769 Hartrees.
 Nuclear repulsion after empirical dispersion term =      609.3199872037 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              17.3 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.87D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               6.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:12 2021, MaxMem=  5368709120 cpu:               6.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.794243361252    
 DIIS: error= 1.44D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.794243361252     IErMin= 1 ErrMin= 1.44D-03
 ErrMax= 1.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-03 BMatP= 5.59D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.44D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 GapD=    0.344 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.57D-02 MaxDP=4.02D+00              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.08D-02    CP:  1.48D+00
 E= -465.798961909470     Delta-E=       -0.004718548218 Rises=F Damp=F
 DIIS: error= 2.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.798961909470     IErMin= 2 ErrMin= 2.37D-04
 ErrMax= 2.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-04 BMatP= 5.59D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.37D-03
 Coeff-Com: -0.462D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.461D-01 0.105D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.53D-03 MaxDP=5.76D-01 DE=-4.72D-03 OVMax= 4.83D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.97D-04    CP:  1.55D+00  1.13D+00
 E= -465.799063585965     Delta-E=       -0.000101676495 Rises=F Damp=F
 DIIS: error= 2.47D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.799063585965     IErMin= 2 ErrMin= 2.37D-04
 ErrMax= 2.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-05 BMatP= 1.03D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.47D-03
 Coeff-Com: -0.392D-01 0.530D+00 0.509D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.391D-01 0.529D+00 0.511D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.86D-04 MaxDP=2.64D-02 DE=-1.02D-04 OVMax= 2.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.06D-05    CP:  1.55D+00  1.14D+00  1.05D+00
 E= -465.799130942222     Delta-E=       -0.000067356257 Rises=F Damp=F
 DIIS: error= 6.29D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.799130942222     IErMin= 4 ErrMin= 6.29D-05
 ErrMax= 6.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-06 BMatP= 9.21D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.403D-02-0.856D-02 0.182D+00 0.831D+00
 Coeff:     -0.403D-02-0.856D-02 0.182D+00 0.831D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.00D-04 MaxDP=1.31D-02 DE=-6.74D-05 OVMax= 6.84D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.03D-05    CP:  1.55D+00  1.14D+00  1.11D+00  1.34D+00
 E= -465.799136658794     Delta-E=       -0.000005716572 Rises=F Damp=F
 DIIS: error= 2.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.799136658794     IErMin= 5 ErrMin= 2.25D-05
 ErrMax= 2.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.99D-07 BMatP= 5.87D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-02-0.575D-01 0.265D-01 0.348D+00 0.681D+00
 Coeff:      0.199D-02-0.575D-01 0.265D-01 0.348D+00 0.681D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.26D-05 MaxDP=1.90D-03 DE=-5.72D-06 OVMax= 3.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.68D-05    CP:  1.55D+00  1.14D+00  1.13D+00  1.40D+00  1.10D+00
 E= -465.799137461308     Delta-E=       -0.000000802514 Rises=F Damp=F
 DIIS: error= 6.47D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.799137461308     IErMin= 6 ErrMin= 6.47D-06
 ErrMax= 6.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-08 BMatP= 6.99D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-02-0.182D-01-0.766D-02 0.331D-01 0.221D+00 0.771D+00
 Coeff:      0.115D-02-0.182D-01-0.766D-02 0.331D-01 0.221D+00 0.771D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.05D-06 MaxDP=1.17D-03 DE=-8.03D-07 OVMax= 1.73D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.99D-06    CP:  1.55D+00  1.14D+00  1.13D+00  1.44D+00  1.13D+00
                    CP:  1.06D+00
 E= -465.799137538990     Delta-E=       -0.000000077683 Rises=F Damp=F
 DIIS: error= 2.37D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.799137538990     IErMin= 7 ErrMin= 2.37D-06
 ErrMax= 2.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.12D-09 BMatP= 4.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-03 0.518D-03-0.423D-02-0.283D-01-0.741D-02 0.275D+00
 Coeff-Com:  0.764D+00
 Coeff:      0.143D-03 0.518D-03-0.423D-02-0.283D-01-0.741D-02 0.275D+00
 Coeff:      0.764D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.97D-06 MaxDP=5.64D-04 DE=-7.77D-08 OVMax= 5.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.68D-06    CP:  1.55D+00  1.14D+00  1.13D+00  1.45D+00  1.15D+00
                    CP:  1.10D+00  1.07D+00
 E= -465.799137551669     Delta-E=       -0.000000012679 Rises=F Damp=F
 DIIS: error= 7.20D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.799137551669     IErMin= 8 ErrMin= 7.20D-07
 ErrMax= 7.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-10 BMatP= 8.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-03 0.253D-02 0.176D-03-0.138D-01-0.369D-01-0.305D-01
 Coeff-Com:  0.207D+00 0.872D+00
 Coeff:     -0.114D-03 0.253D-02 0.176D-03-0.138D-01-0.369D-01-0.305D-01
 Coeff:      0.207D+00 0.872D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.33D-06 MaxDP=1.61D-04 DE=-1.27D-08 OVMax= 3.41D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.44D-07    CP:  1.55D+00  1.14D+00  1.13D+00  1.45D+00  1.15D+00
                    CP:  1.12D+00  1.14D+00  1.10D+00
 E= -465.799137553470     Delta-E=       -0.000000001801 Rises=F Damp=F
 DIIS: error= 2.92D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.799137553470     IErMin= 9 ErrMin= 2.92D-07
 ErrMax= 2.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-10 BMatP= 7.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.485D-04 0.813D-03 0.481D-03-0.230D-02-0.119D-01-0.318D-01
 Coeff-Com: -0.704D-02 0.314D+00 0.738D+00
 Coeff:     -0.485D-04 0.813D-03 0.481D-03-0.230D-02-0.119D-01-0.318D-01
 Coeff:     -0.704D-02 0.314D+00 0.738D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.38D-07 MaxDP=3.82D-05 DE=-1.80D-09 OVMax= 6.58D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.45D-07    CP:  1.55D+00  1.14D+00  1.13D+00  1.44D+00  1.15D+00
                    CP:  1.11D+00  1.14D+00  1.17D+00  1.03D+00
 E= -465.799137553693     Delta-E=       -0.000000000223 Rises=F Damp=F
 DIIS: error= 8.35D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.799137553693     IErMin=10 ErrMin= 8.35D-08
 ErrMax= 8.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-12 BMatP= 1.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.393D-05-0.179D-03 0.142D-03 0.157D-02 0.265D-02-0.270D-02
 Coeff-Com: -0.408D-01-0.320D-01 0.171D+00 0.900D+00
 Coeff:      0.393D-05-0.179D-03 0.142D-03 0.157D-02 0.265D-02-0.270D-02
 Coeff:     -0.408D-01-0.320D-01 0.171D+00 0.900D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.39D-07 MaxDP=3.32D-05 DE=-2.23D-10 OVMax= 3.86D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.34D-08    CP:  1.55D+00  1.14D+00  1.13D+00  1.44D+00  1.15D+00
                    CP:  1.11D+00  1.13D+00  1.17D+00  1.08D+00  1.28D+00
 E= -465.799137553760     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 3.09D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.799137553760     IErMin=11 ErrMin= 3.09D-08
 ErrMax= 3.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-12 BMatP= 9.36D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.571D-05-0.122D-03-0.802D-05 0.529D-03 0.171D-02 0.292D-02
 Coeff-Com: -0.107D-01-0.311D-01-0.442D-01 0.195D+00 0.886D+00
 Coeff:      0.571D-05-0.122D-03-0.802D-05 0.529D-03 0.171D-02 0.292D-02
 Coeff:     -0.107D-01-0.311D-01-0.442D-01 0.195D+00 0.886D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.13D-08 MaxDP=9.00D-06 DE=-6.68D-11 OVMax= 9.61D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.39D-08    CP:  1.55D+00  1.14D+00  1.13D+00  1.44D+00  1.15D+00
                    CP:  1.11D+00  1.12D+00  1.17D+00  1.08D+00  1.39D+00
                    CP:  1.14D+00
 E= -465.799137553719     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 6.59D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.799137553760     IErMin=12 ErrMin= 6.59D-09
 ErrMax= 6.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.51D-14 BMatP= 1.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.278D-06 0.212D-05-0.936D-05-0.825D-04-0.357D-04 0.788D-03
 Coeff-Com:  0.142D-02 0.130D-02-0.234D-01-0.530D-01 0.105D+00 0.968D+00
 Coeff:      0.278D-06 0.212D-05-0.936D-05-0.825D-04-0.357D-04 0.788D-03
 Coeff:      0.142D-02 0.130D-02-0.234D-01-0.530D-01 0.105D+00 0.968D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=1.34D-06 DE= 4.14D-11 OVMax= 2.86D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.00D-09    CP:  1.55D+00  1.14D+00  1.13D+00  1.44D+00  1.15D+00
                    CP:  1.11D+00  1.12D+00  1.17D+00  1.08D+00  1.42D+00
                    CP:  1.20D+00  1.18D+00
 E= -465.799137553697     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 3.23D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -465.799137553760     IErMin=13 ErrMin= 3.23D-09
 ErrMax= 3.23D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-14 BMatP= 8.51D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.525D-06 0.141D-04-0.108D-05-0.902D-04-0.204D-03-0.255D-04
 Coeff-Com:  0.150D-02 0.441D-02-0.385D-02-0.393D-01-0.675D-01 0.340D+00
 Coeff-Com:  0.765D+00
 Coeff:     -0.525D-06 0.141D-04-0.108D-05-0.902D-04-0.204D-03-0.255D-04
 Coeff:      0.150D-02 0.441D-02-0.385D-02-0.393D-01-0.675D-01 0.340D+00
 Coeff:      0.765D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.71D-09 MaxDP=5.13D-07 DE= 2.21D-11 OVMax= 7.11D-08

 SCF Done:  E(RwB97XD) =  -465.799137554     A.U. after   13 cycles
            NFock= 13  Conv=0.47D-08     -V/T= 2.0063
 KE= 4.628699904189D+02 PE=-2.300170595993D+03 EE= 7.621814808164D+02
 Leave Link  502 at Fri Aug 13 10:57:41 2021, MaxMem=  5368709120 cpu:            5022.8 elap:             629.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.83313254D+02

 Leave Link  801 at Fri Aug 13 10:57:42 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.14D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.81D-01 5.46D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.36D-02 1.08D-01.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 4.07D-03 1.91D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 4.21D-04 3.69D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.83D-05 8.54D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 9.43D-07 2.17D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.95D-08 2.81D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 6.65D-10 3.97D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.43D-11 4.72D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.12D-13 5.85D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.12D-14 8.50D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.172704D+03
      2  0.550529D+01  0.110219D+03
      3  0.316347D+01  0.299819D+01  0.113962D+03
 Isotropic polarizability for W=    0.085645      132.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.778540D+02 -0.271247D+02 -0.177781D+01
      2   0.681419D+02  0.488573D+01  0.926166D+01
      3   0.971210D+01  0.222389D+02 -0.748385D+01
      4  -0.390039D+02  0.956631D+02 -0.264374D+02
      5  -0.333482D+02 -0.290174D+02  0.653187D+01
      6  -0.123103D+02 -0.195038D+02 -0.121322D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.751522D+01 -0.875668D+01  0.539555D+01
      2   0.328981D+02 -0.918422D+01  0.466753D+01
      3   0.243950D+02 -0.411591D+02  0.148112D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.257999D+01 -0.287654D+02  0.343712D+02
      2   0.315704D+02 -0.141272D+02 -0.318024D+01
      3  -0.118792D+02 -0.275212D+02  0.167072D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.216847D+01 -0.568474D+01 -0.463614D+01
      2  -0.568474D+01  0.116176D+00  0.528520D+01
      3  -0.463614D+01  0.528520D+01 -0.417293D+01
 OR G Eigenvalues:    -7.8162    -4.3488    10.2767  Iso=     0.6294
 Eigenvectors:
   (1)   0.124102  -0.487067   0.864503
   (2)   0.731667   0.633432   0.251847
   (3)   0.670270  -0.601274  -0.434981
 w=    0.085645 a.u., Optical Rotation Beta=      0.6294 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      196.09 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.99D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.40D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.66D-02 3.17D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 4.36D-03 2.05D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.31D-05 1.34D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 9.21D-07 1.05D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.66D-08 1.03D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.54D-10 1.01D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.18D-12 1.14D-07.
     13 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.05D-14 7.12D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.30D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172704D+03  0.550529D+01  0.316347D+01
      2   0.550529D+01  0.110219D+03  0.299819D+01
      3   0.316347D+01  0.299819D+01  0.113962D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.751522D+01 -0.875668D+01  0.539555D+01
      2   0.328981D+02 -0.918422D+01  0.466753D+01
      3   0.243950D+02 -0.411591D+02  0.148112D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.778540D+02 -0.271247D+02 -0.177781D+01
      2   0.681419D+02  0.488573D+01  0.926166D+01
      3   0.971210D+01  0.222389D+02 -0.748385D+01
      4  -0.390039D+02  0.956631D+02 -0.264374D+02
      5  -0.333482D+02 -0.290174D+02  0.653187D+01
      6  -0.123103D+02 -0.195038D+02 -0.121322D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.301365D+01  0.218945D+01 -0.391307D+01  0.141963D+01  0.359561D+00
      2   0.218945D+01  0.218456D+00  0.390739D+01  0.359561D+00  0.263961D+01
      3  -0.391307D+01  0.390739D+01  0.174155D+00  0.390015D+01  0.182803D+01
                 6             7             8             9            10 
      1   0.390015D+01 -0.420623D+01  0.391662D+01  0.316794D+00  0.210153D+02
      2   0.182803D+01  0.391662D+01  0.232318D+01 -0.522933D-01 -0.349288D+01
      3  -0.913993D+00  0.316794D+00 -0.522933D-01 -0.181337D+01  0.405809D+01
                11            12            13            14            15 
      1  -0.349288D+01  0.405809D+01 -0.820594D+01  0.218158D+01 -0.434186D+01
      2   0.623440D+00 -0.352617D+01  0.218158D+01 -0.412446D+01 -0.298630D+01
      3  -0.352617D+01 -0.711018D+00 -0.434186D+01 -0.298630D+01 -0.124151D+00
                16            17            18            19            20 
      1   0.163380D+02 -0.470678D+01  0.134076D+00 -0.433394D+02 -0.774925D+00
      2  -0.470678D+01 -0.268363D+01 -0.193238D-01 -0.774925D+00 -0.439308D+01
      3   0.134076D+00 -0.193238D-01  0.822405D+00 -0.204840D+01  0.105571D+01
                21            22            23            24            25 
      1  -0.204840D+01  0.486629D+01 -0.939502D+01  0.214568D+01 -0.636748D+01
      2   0.105571D+01 -0.939502D+01 -0.138681D+01 -0.879367D+00  0.193394D+01
      3   0.692082D-01  0.214568D+01 -0.879367D+00  0.225645D+01  0.382302D+00
                26            27            28            29            30 
      1   0.193394D+01  0.382302D+00  0.641483D+02  0.394327D+01  0.748130D+00
      2  -0.145836D+01  0.224415D+01  0.394327D+01  0.346951D+01 -0.621949D+00
      3   0.224415D+01  0.458001D+01  0.748130D+00 -0.621949D+00  0.158810D+01
                31            32            33            34            35 
      1   0.111542D+02  0.711004D+01 -0.179657D+01  0.926749D+01 -0.628732D+00
      2   0.711004D+01  0.308984D+01 -0.188376D+00 -0.628732D+00  0.113814D+01
      3  -0.179657D+01 -0.188376D+00 -0.111274D+01  0.183295D+01 -0.158503D+01
                36            37            38            39            40 
      1   0.183295D+01 -0.579272D+02 -0.349225D+01  0.275129D+01 -0.123198D+02
      2  -0.158503D+01 -0.349225D+01 -0.202131D+01  0.897848D+00 -0.513563D+01
      3  -0.309738D+01  0.275129D+01  0.897848D+00 -0.119002D+01  0.136085D+01
                41            42            43            44            45 
      1  -0.513563D+01  0.136085D+01 -0.119298D+02 -0.564814D+00 -0.402658D+01
      2  -0.245084D+01 -0.797581D+00 -0.564814D+00 -0.191268D+01  0.170361D+01
      3  -0.797581D+00  0.180984D+01 -0.402658D+01  0.170361D+01  0.249955D+01
                46            47            48            49            50 
      1   0.180138D+02  0.118006D+01 -0.290183D+01 -0.441325D+01 -0.716602D+00
      2   0.118006D+01 -0.111783D+01  0.172142D+00 -0.716602D+00 -0.613870D+00
      3  -0.290183D+01  0.172142D+00 -0.679966D+00  0.296425D+01 -0.846989D+00
                51            52            53            54            55 
      1   0.296425D+01 -0.243556D+02  0.914727D+00  0.881725D+01 -0.485040D+01
      2  -0.846989D+00  0.914727D+00  0.526657D+00 -0.847393D+00  0.572318D+00
      3  -0.150059D+01  0.881725D+01 -0.847393D+00 -0.598893D+01  0.256442D+01
                56            57            58            59            60 
      1   0.572318D+00  0.256442D+01  0.759350D+01 -0.175069D+01 -0.277081D+01
      2  -0.227254D+00 -0.481833D+00 -0.175069D+01  0.177630D+01  0.293614D+01
      3  -0.481833D+00 -0.103652D+01 -0.277081D+01  0.293614D+01  0.157033D+01
                61            62            63            64            65 
      1   0.248540D+02 -0.330919D+00 -0.997234D+01 -0.717306D+01  0.212446D+01
      2  -0.330919D+00  0.128546D+01  0.120598D+01  0.212446D+01  0.197348D-01
      3  -0.997234D+01  0.120598D+01  0.111011D+02 -0.273423D+01  0.405361D+01
                66            67            68            69            70 
      1  -0.273423D+01  0.237146D+01 -0.100093D+01  0.401877D+01 -0.736467D+01
      2   0.405361D+01 -0.100093D+01  0.175074D+01  0.358731D+01  0.420831D+01
      3   0.105846D+01  0.401877D+01  0.358731D+01 -0.989701D+00 -0.169830D-01
                71            72            73            74            75 
      1   0.420831D+01 -0.169830D-01 -0.659801D+01 -0.168091D+01 -0.148731D+01
      2   0.321489D+01 -0.270628D+00 -0.168091D+01  0.206504D+01 -0.498382D+00
      3  -0.270628D+00  0.133098D+01 -0.148731D+01 -0.498382D+00  0.271322D+01
                76            77            78            79            80 
      1  -0.179675D+01  0.269467D+01 -0.766073D+00  0.621693D+00 -0.201788D+00
      2   0.269467D+01  0.508396D+01  0.331372D+01 -0.201788D+00  0.311049D+01
      3  -0.766073D+00  0.331372D+01 -0.961309D+00  0.241541D+01 -0.175289D+01
                81            82            83            84            85 
      1   0.241541D+01  0.713348D+01  0.278108D+01  0.726695D+00  0.599337D+01
      2  -0.175289D+01  0.278108D+01  0.414592D+01  0.315377D+01  0.591935D+01
      3  -0.323082D+01  0.726695D+00  0.315377D+01 -0.289507D+01  0.241098D+01
                86            87            88            89            90 
      1   0.591935D+01  0.241098D+01  0.797610D+01  0.558362D+01 -0.347910D+01
      2  -0.164492D+01 -0.461054D-01  0.558362D+01 -0.745163D-01 -0.258058D+00
      3  -0.461054D-01  0.246354D+00 -0.347910D+01 -0.258058D+00  0.582499D+00
                91            92            93            94            95 
      1   0.100692D+01 -0.150412D+01 -0.482133D+01 -0.265945D+01  0.347663D+00
      2  -0.150412D+01 -0.992132D+00 -0.113808D+01  0.347663D+00  0.395311D+01
      3  -0.482133D+01 -0.113808D+01  0.115702D+01 -0.109987D+01  0.359471D+01
                96            97            98            99           100 
      1  -0.109987D+01 -0.786015D+01 -0.113305D+01  0.336130D+01  0.114078D+02
      2   0.359471D+01 -0.113305D+01  0.295352D+01 -0.107323D+01  0.232151D+01
      3  -0.154658D+01  0.336130D+01 -0.107323D+01  0.382927D+01  0.243250D+01
               101           102           103           104           105 
      1   0.232151D+01  0.243250D+01  0.101824D+01  0.142785D+01  0.277149D+00
      2   0.184315D+01  0.590280D+00  0.142785D+01  0.559430D+00  0.155239D+00
      3   0.590280D+00  0.148023D+01  0.277149D+00  0.155239D+00  0.246057D+00
               106           107           108           109           110 
      1   0.356180D+00  0.174349D+00  0.107415D+01 -0.102306D+00  0.422679D+00
      2   0.174349D+00 -0.223366D+00  0.496318D+00  0.422679D+00 -0.883373D+00
      3   0.107415D+01  0.496318D+00  0.102285D+01  0.920598D+00 -0.282232D+00
               111           112           113           114           115 
      1   0.920598D+00  0.181885D+00 -0.125094D+00  0.973412D-01  0.104644D+01
      2  -0.282232D+00 -0.125094D+00  0.438360D+00  0.740886D+00  0.949469D-01
      3  -0.202079D+01  0.973412D-01  0.740886D+00  0.945259D+00  0.612139D-01
               116           117           118           119           120 
      1   0.949469D-01  0.612139D-01 -0.324426D+00 -0.353822D+00 -0.761620D+00
      2   0.168029D+01  0.168591D+01 -0.353822D+00  0.268127D+00 -0.113129D+00
      3   0.168591D+01  0.789018D+01 -0.761620D+00 -0.113129D+00 -0.331456D+00
               121           122           123           124           125 
      1  -0.179765D+01  0.375872D+00 -0.287556D-01 -0.133760D+01 -0.225684D-02
      2   0.375872D+00 -0.495579D+00 -0.104670D+01 -0.225684D-02 -0.116509D+01
      3  -0.287556D-01 -0.104670D+01 -0.134680D+01  0.966843D-01 -0.808034D+00
               126           127           128           129           130 
      1   0.966843D-01 -0.189295D+01  0.152287D+01  0.547474D-01  0.859962D-01
      2  -0.808034D+00  0.152287D+01 -0.415264D+01 -0.570003D+00 -0.168644D+01
      3  -0.730007D+01  0.547474D-01 -0.570003D+00 -0.339303D+00 -0.382698D+00
               131           132           133           134           135 
      1  -0.168644D+01 -0.382698D+00  0.233817D+00 -0.737621D+00  0.187904D+00
      2   0.815974D+01  0.647369D+00 -0.737621D+00  0.221754D+01  0.131199D+01
      3   0.647369D+00  0.944190D+00  0.187904D+00  0.131199D+01  0.558116D+00
               136           137           138           139           140 
      1   0.280936D+01  0.157290D+01 -0.181035D+01 -0.940451D-01  0.111645D+01
      2   0.157290D+01  0.170013D+01 -0.148179D+01  0.111645D+01  0.255323D+01
      3  -0.181035D+01 -0.148179D+01  0.229385D+01 -0.107618D+01 -0.156708D+01
               141           142           143           144           145 
      1  -0.107618D+01 -0.459159D+01 -0.256665D+01  0.273465D+01 -0.287457D+01
      2  -0.156708D+01 -0.256665D+01 -0.300442D+01  0.250572D+01  0.374968D+00
      3   0.137142D+01  0.273465D+01  0.250572D+01 -0.427144D+01  0.187052D+01
               146           147           148           149           150 
      1   0.374968D+00  0.187052D+01  0.135499D+01 -0.829450D+00 -0.629254D+00
      2  -0.106141D+01 -0.177854D+00 -0.829450D+00  0.603123D+00  0.229082D+00
      3  -0.177854D+00 -0.243034D+01 -0.629254D+00  0.229082D+00  0.132702D+01
               151           152           153           154           155 
      1   0.185014D+01 -0.519773D+00 -0.188728D+01  0.551771D+01 -0.280637D+01
      2  -0.519773D+00  0.768720D+00 -0.756353D-02 -0.280637D+01  0.294264D+01
      3  -0.188728D+01 -0.756353D-02  0.427825D+01  0.297036D+01 -0.219086D+01
               156           157           158           159           160 
      1   0.297036D+01 -0.155521D+01  0.181423D+01 -0.137254D+01  0.200593D+01
      2  -0.219086D+01  0.181423D+01 -0.278768D+01  0.144601D+01 -0.168738D+01
      3   0.283864D+01 -0.137254D+01  0.144601D+01 -0.127325D+01  0.207401D+01
               161           162           163           164           165 
      1  -0.168738D+01  0.207401D+01 -0.131839D+01 -0.152970D+01 -0.504379D-01
      2   0.146702D+01 -0.184927D+01 -0.152970D+01 -0.250088D+01 -0.589342D+00
      3  -0.184927D+01  0.311060D+01 -0.504379D-01 -0.589342D+00 -0.676060D+00
               166           167           168           169           170 
      1  -0.123525D+01 -0.141575D+01 -0.551235D+00 -0.607599D+00 -0.847667D+00
      2  -0.141575D+01 -0.631824D+01 -0.789290D+00 -0.847667D+00 -0.299345D+01
      3  -0.551235D+00 -0.789290D+00 -0.120472D+01 -0.448208D+00 -0.101209D+01
               171           172           173           174           175 
      1  -0.448208D+00  0.265921D+01  0.753166D+00 -0.125024D+01  0.210857D+01
      2  -0.101209D+01  0.753166D+00  0.749893D+00 -0.101075D+01  0.955322D+00
      3  -0.105409D+01 -0.125024D+01 -0.101075D+01  0.133432D+01 -0.191978D+01
               176           177           178           179           180 
      1   0.955322D+00 -0.191978D+01 -0.153483D+01 -0.110080D+01  0.208671D+01
      2   0.252962D+01 -0.181580D+01 -0.110080D+01 -0.185724D+01  0.148930D+01
      3  -0.181580D+01  0.267529D+01  0.208671D+01  0.148930D+01 -0.398598D+01
               181           182           183           184           185 
      1  -0.341496D+00 -0.730102D+00 -0.194048D+00 -0.135930D+01  0.265587D+00
      2  -0.730102D+00 -0.189892D+01 -0.140365D+01  0.265587D+00 -0.516818D+01
      3  -0.194048D+00 -0.140365D+01 -0.151369D+01 -0.130400D+00 -0.295339D+01
               186           187           188           189           190 
      1  -0.130400D+00 -0.314865D+00 -0.297649D+00  0.135160D+00  0.867299D+01
      2  -0.295339D+01 -0.297649D+00 -0.280445D+01 -0.228091D+01 -0.323463D+01
      3  -0.242977D+01  0.135160D+00 -0.228091D+01 -0.312257D+01  0.115919D+01
               191           192           193           194           195 
      1  -0.323463D+01  0.115919D+01 -0.283231D+01  0.237530D+01 -0.649490D+00
      2   0.201208D+01 -0.701907D+00  0.237530D+01 -0.209527D+01  0.505561D-01
      3  -0.701907D+00  0.126213D+01 -0.649490D+00  0.505561D-01 -0.539770D+00
               196           197           198           199           200 
      1   0.520258D+01 -0.187983D+01  0.131849D+01  0.152174D+01  0.571726D+00
      2  -0.187983D+01  0.109290D+01 -0.606195D+00  0.571726D+00 -0.370545D-02
      3   0.131849D+01 -0.606195D+00  0.117512D+01  0.813601D+00 -0.205121D-01
               201           202           203           204           205 
      1   0.813601D+00  0.147003D+01 -0.988189D+00  0.250698D+00  0.192282D+01
      2  -0.205121D-01 -0.988189D+00  0.653164D+00  0.107871D+01  0.595386D+00
      3  -0.105949D+00  0.250698D+00  0.107871D+01  0.113018D+01  0.516492D+00
               206           207           208           209           210 
      1   0.595386D+00  0.516492D+00 -0.141341D+01 -0.622085D+00 -0.119681D+01
      2   0.135938D+01  0.115138D+01 -0.622085D+00 -0.722870D-01 -0.985202D-01
      3   0.115138D+01  0.454679D+01 -0.119681D+01 -0.985202D-01  0.180417D+00
               211           212           213           214           215 
      1  -0.968475D+00  0.286130D+00 -0.717789D+00 -0.183002D+01 -0.548536D+00
      2   0.286130D+00 -0.509496D+00 -0.845929D+00 -0.548536D+00 -0.118181D+01
      3  -0.717789D+00 -0.845929D+00 -0.174859D+01 -0.961705D+00 -0.161611D+01
               216           217           218           219           220 
      1  -0.961705D+00 -0.964910D+00 -0.559698D+00  0.393395D+00 -0.338758D+01
      2  -0.161611D+01 -0.559698D+00  0.605117D+00  0.398593D+00 -0.193082D+01
      3  -0.649273D+01  0.393395D+00  0.398593D+00  0.261297D+00 -0.828980D+00
               221           222           223           224           225 
      1  -0.193082D+01 -0.828980D+00 -0.120094D+01 -0.461565D+00 -0.137587D+01
      2  -0.741200D+01 -0.271919D+01 -0.461565D+00 -0.217440D+01 -0.152112D+01
      3  -0.271919D+01 -0.201962D+01 -0.137587D+01 -0.152112D+01 -0.228018D+01
               226           227           228           229           230 
      1  -0.259015D+01  0.746280D+00 -0.548321D+00  0.249502D+01 -0.115142D+01
      2   0.746280D+00 -0.279351D+00  0.504082D+00 -0.115142D+01  0.156846D+01
      3  -0.548321D+00  0.504082D+00 -0.788904D+00  0.152179D+01 -0.220159D+01
               231           232           233           234           235 
      1   0.152179D+01 -0.353074D+01  0.364541D+00 -0.322991D+01 -0.918234D+01
      2  -0.220159D+01  0.364541D+00 -0.226991D+01  0.174217D+01 -0.295237D+00
      3   0.295407D+01 -0.322991D+01  0.174217D+01 -0.632189D+01  0.225446D+01
               236           237           238           239           240 
      1  -0.295237D+00  0.225446D+01  0.511750D+00 -0.110357D+01  0.114638D+00
      2  -0.105906D+01  0.173541D+00 -0.110357D+01 -0.351365D+00  0.759215D-01
      3   0.173541D+00 -0.169196D+01  0.114638D+00  0.759215D-01  0.235120D+00
               241           242           243 
      1   0.535690D+01  0.429379D+00 -0.214757D+01
      2   0.429379D+00  0.665125D+00  0.236066D-01
      3  -0.214757D+01  0.236066D-01  0.163171D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.528054D+01  0.890744D+01  0.631699D+01  0.843405D+01  0.901313D+01
      2  -0.720159D+01  0.199591D+01  0.742751D+01  0.620789D+01  0.193775D+01
      3  -0.320867D+01 -0.847682D+01  0.149140D+01 -0.697869D+00 -0.509952D+01
                 6             7             8             9            10 
      1  -0.114002D+01  0.632474D+01  0.575238D+01 -0.476007D+01  0.629354D+01
      2  -0.662079D+01  0.342484D+01 -0.625314D+01 -0.361739D+01  0.195620D+02
      3  -0.106120D+02  0.323913D+00 -0.124224D+02 -0.793582D+00  0.103930D+02
                11            12            13            14            15 
      1  -0.547409D+01 -0.452857D+00 -0.894620D+01 -0.527886D+01 -0.527567D+01
      2  -0.908544D+01  0.238052D+01 -0.134018D+02 -0.444973D+01 -0.655336D+00
      3  -0.294479D+01  0.763220D+01  0.655536D+01  0.103751D+02  0.110224D+02
                16            17            18            19            20 
      1   0.414595D+01  0.353286D+01 -0.507809D+00 -0.287438D+00  0.367421D+01
      2   0.366655D+01  0.134927D+00  0.244274D+01 -0.308434D+02 -0.109510D+01
      3   0.107635D+02  0.115207D+02  0.344219D+00 -0.187135D+02 -0.421033D+01
                21            22            23            24            25 
      1  -0.130129D+01  0.141848D+02  0.433726D+01 -0.142697D+01 -0.500710D+01
      2   0.158577D+01  0.203680D+01 -0.697791D+01  0.372784D+01 -0.154886D+02
      3  -0.227883D+01  0.460273D+01 -0.734112D+01  0.280075D+01 -0.391482D+01
                26            27            28            29            30 
      1   0.502843D+01 -0.379767D+01 -0.539438D+01 -0.168170D+00  0.975555D-01
      2   0.227343D+01  0.210141D+01  0.408037D+02  0.475284D+01 -0.417923D+01
      3   0.521898D+00 -0.953443D+00  0.187668D+02  0.912280D+01 -0.113653D+01
                31            32            33            34            35 
      1  -0.336821D+01 -0.270718D+01 -0.291946D+01  0.171016D+01 -0.241581D+00
      2   0.122128D+02  0.362499D+01 -0.125011D+01 -0.140035D+02 -0.119794D+01
      3   0.356761D+02  0.756043D+01  0.450849D+00 -0.965348D+00 -0.502227D+00
                36            37            38            39            40 
      1   0.318746D+01  0.377232D+01  0.133413D+01 -0.764190D+00  0.742873D+01
      2   0.133267D+01 -0.463483D+02 -0.384711D+01  0.130961D+02 -0.132408D+02
      3  -0.200838D+00 -0.157552D+02 -0.115226D+02  0.152887D+01 -0.953866D+01
                41            42            43            44            45 
      1   0.971875D+00 -0.481267D+01  0.215664D+01  0.294090D+00  0.780416D+00
      2  -0.262918D+01 -0.112790D+01 -0.139523D+02 -0.371894D+01 -0.607275D+01
      3  -0.618093D+01 -0.121780D+01  0.711802D-03 -0.133829D+00  0.115048D+01
                46            47            48            49            50 
      1   0.109157D-01 -0.201703D+01  0.242044D+01  0.558464D+01 -0.371178D+01
      2   0.103982D+02  0.243382D+01 -0.475932D+01 -0.588208D+01  0.243663D+01
      3   0.748719D+00  0.120471D+02 -0.397746D+01  0.246329D+02  0.175273D+01
                51            52            53            54            55 
      1  -0.725759D+01  0.262693D+01 -0.396735D+01  0.220984D+01 -0.130339D+01
      2   0.606807D+01 -0.507483D+02  0.217537D+00  0.287111D+02 -0.148714D+01
      3  -0.207677D+01 -0.537334D+01 -0.789443D+01 -0.146378D+01  0.296317D+00
                56            57            58            59            60 
      1   0.517525D+00 -0.547912D+00  0.604544D-01  0.271863D+01 -0.149338D+01
      2   0.147706D+01  0.749008D+01  0.870938D+01 -0.881041D+01 -0.796252D+01
      3  -0.715347D+01 -0.399426D+00 -0.677742D+01  0.568495D+01  0.807220D+01
                61            62            63            64            65 
      1  -0.153092D+01  0.896115D+01 -0.367766D+00 -0.512308D+01  0.555546D+01
      2   0.305396D+02 -0.378350D+01 -0.447410D+02 -0.152403D+02  0.158616D+02
      3   0.467545D+01  0.119064D+02  0.274016D+01 -0.132621D+01 -0.436864D+01
                66            67            68            69            70 
      1  -0.467452D+01  0.787389D+01  0.274485D+01 -0.767166D+01 -0.753226D+01
      2   0.212488D+01  0.151787D+02  0.117734D+02  0.180524D+01 -0.996772D+01
      3  -0.111124D+02  0.549660D+01 -0.594085D+01 -0.181079D+02 -0.121474D+02
                71            72            73            74            75 
      1  -0.180886D+01  0.348471D+01 -0.179531D+01  0.568386D+01 -0.505207D+01
      2   0.472638D+01  0.644658D+01  0.759090D+01  0.195801D+01  0.125912D+02
      3  -0.165117D+02  0.124417D+01 -0.159796D+01 -0.130443D+02  0.797670D+00
                76            77            78            79            80 
      1   0.249884D+01  0.107174D+01  0.491144D+01 -0.422722D+01  0.955798D+01
      2   0.323836D+00  0.641499D+01 -0.315212D+01  0.477265D+01 -0.554565D+01
      3  -0.662851D+01 -0.115012D+02 -0.123188D+02  0.240434D+01 -0.114785D+02
                81            82            83            84            85 
      1   0.140726D+01 -0.378173D+01 -0.128411D+02  0.734966D+01 -0.153263D+02
      2  -0.134840D+02  0.753309D+01  0.705500D+01 -0.299639D+01  0.863523D+01
      3   0.928538D+01  0.166112D+01 -0.672017D+01 -0.565449D+01  0.668661D+01
                86            87            88            89            90 
      1   0.605854D+00 -0.378594D+01  0.509775D+01  0.227347D+01 -0.421171D+00
      2   0.431057D+01  0.223688D+01 -0.300765D+01  0.292286D+01 -0.162470D+01
      3   0.143859D+02  0.716098D+01 -0.931444D+00  0.131788D+02 -0.879466D+01
                91            92            93            94            95 
      1  -0.454927D+00  0.216423D+01  0.124241D+01 -0.586487D+01 -0.259445D+01
      2   0.195643D+02  0.308410D+01 -0.496537D+01  0.356093D+01 -0.156349D+02
      3  -0.719904D+01 -0.101906D+02 -0.283914D+01  0.123722D+02  0.188256D+02
                96            97            98            99           100 
      1  -0.819326D+01  0.460239D+01 -0.126922D+01  0.372030D+01 -0.863261D+00
      2   0.727928D+01 -0.237965D+02  0.351689D+01 -0.137912D+02 -0.458250D+01
      3   0.202701D+02 -0.434655D+01  0.120034D+02 -0.721759D+01  0.665135D+01
               101           102           103           104           105 
      1   0.204624D+01 -0.179563D+01  0.266934D+00  0.160247D+00 -0.137657D+01
      2  -0.219046D+00  0.543012D+01 -0.646114D+00 -0.745376D+00  0.709277D+00
      3  -0.671654D+01  0.913825D+00 -0.432415D+00 -0.152194D+00  0.589396D+00
               106           107           108           109           110 
      1  -0.880898D+00  0.771015D-01 -0.670054D+00 -0.670151D+00 -0.185697D+01
      2   0.114762D+01  0.991174D+00  0.228744D+01  0.382754D+01 -0.118364D+01
      3   0.176004D+00  0.678801D+00 -0.187134D+00 -0.162413D+01  0.210801D+01
               111           112           113           114           115 
      1   0.232428D+01 -0.869400D+00 -0.642260D+00 -0.159512D+01  0.339882D+00
      2  -0.631707D+01 -0.463801D+00  0.267262D+01  0.249058D+01 -0.530320D+01
      3   0.177244D+01  0.221522D+01 -0.873350D+00 -0.166942D+01  0.174301D+01
               116           117           118           119           120 
      1   0.272132D+01 -0.741689D+01  0.100154D+01  0.501847D+00  0.163316D+00
      2   0.428602D+01  0.223501D+02 -0.229745D+01 -0.468808D+00  0.481498D+00
      3  -0.366652D+01 -0.465268D+01  0.316328D+00 -0.125838D+01 -0.434292D+00
               121           122           123           124           125 
      1   0.744107D+00  0.159071D+01  0.319980D+00 -0.860141D-01  0.488000D+01
      2  -0.151469D+01 -0.499809D+00 -0.145359D+01 -0.445112D+01 -0.516167D+00
      3   0.254023D+01  0.356673D+00  0.651445D+00 -0.525053D+00  0.217186D+00
               126           127           128           129           130 
      1   0.363021D+01 -0.687402D+00  0.310298D+01  0.228386D+01  0.147708D+01
      2  -0.670201D+01 -0.508287D+00 -0.678941D+00  0.352441D+00 -0.154197D+01
      3   0.692816D+00 -0.840048D+01  0.913543D+01  0.118778D+01  0.859437D+01
               131           132           133           134           135 
      1  -0.461234D+01 -0.525891D+01 -0.810193D-03 -0.253125D+01 -0.244230D+01
      2   0.361342D+00  0.435113D+00 -0.908160D+00  0.178366D+01  0.983465D+00
      3  -0.175565D+02 -0.181255D+01  0.286897D+01 -0.570415D+01 -0.194663D+01
               136           137           138           139           140 
      1   0.346493D+01  0.187933D+01 -0.549431D+01  0.220222D+01  0.195842D+01
      2  -0.763324D+00 -0.179451D+01  0.471607D+01 -0.192853D+01 -0.216296D+01
      3   0.357805D+01 -0.235201D+01 -0.939289D+00  0.164750D+00 -0.317526D+01
               141           142           143           144           145 
      1  -0.319627D+01 -0.470318D+01 -0.112306D+01  0.935167D+01  0.565354D+01
      2   0.251731D+01 -0.720011D-01  0.294251D+01 -0.619786D+01  0.102715D+02
      3   0.488940D+00 -0.411236D+01  0.156212D+01  0.894144D+00  0.574226D+01
               146           147           148           149           150 
      1  -0.398867D+01 -0.475360D+01 -0.381013D+01  0.286023D+01  0.139918D+01
      2  -0.142939D+01 -0.515756D+01 -0.448766D+01  0.183962D+01  0.275472D+01
      3  -0.502559D+00 -0.343114D+01  0.281443D+00  0.670376D+00  0.103913D+01
               151           152           153           154           155 
      1  -0.501779D+01  0.354941D+01  0.733171D+01  0.178346D+01  0.495578D+00
      2  -0.856260D+01  0.110214D+01  0.848751D+01 -0.238306D+01 -0.107981D+01
      3  -0.355520D+01  0.128532D+01  0.397324D+01 -0.461488D+01 -0.284172D+01
               156           157           158           159           160 
      1   0.333574D+01 -0.214797D+00 -0.123850D+01 -0.218798D+01  0.128319D+01
      2   0.368052D+01  0.183095D+01  0.471473D+00 -0.717450D+00 -0.185211D+01
      3  -0.483377D+00  0.230910D+01  0.271041D+01  0.251396D+00 -0.270381D+01
               161           162           163           164           165 
      1   0.239295D+00  0.385897D+01 -0.233264D+01 -0.453323D+01 -0.342554D+01
      2  -0.716203D+00  0.365029D+01  0.182624D+01  0.141187D+01  0.167174D+00
      3  -0.519686D-01 -0.319847D+00  0.763793D+01  0.619776D+01  0.145433D+01
               166           167           168           169           170 
      1  -0.321852D+01 -0.936025D+01 -0.591797D+01 -0.227442D+01 -0.389118D+01
      2   0.100384D+01  0.179371D+01  0.709856D-01 -0.113329D+01  0.825156D-01
      3   0.754268D+01  0.134500D+02  0.246010D+01  0.407561D+01  0.697404D+01
               171           172           173           174           175 
      1  -0.456827D+01 -0.241756D+01 -0.256257D+01  0.251428D+01 -0.255460D+01
      2  -0.261867D+00 -0.127501D+01 -0.240301D+01  0.424019D+01 -0.272914D+01
      3   0.290983D+01 -0.392378D+01 -0.423852D+01  0.462249D+01 -0.314189D+01
               176           177           178           179           180 
      1  -0.734099D+01  0.374529D+01  0.343976D+01  0.631050D+01 -0.539913D+01
      2  -0.531495D+01  0.753480D+01  0.292707D+01  0.392009D+01 -0.112500D+02
      3  -0.109236D+02  0.747533D+01  0.455454D+01  0.818424D+01 -0.670786D+01
               181           182           183           184           185 
      1   0.644560D+00  0.683761D+00 -0.113651D+01 -0.734589D-02  0.266003D+01
      2  -0.250745D+01 -0.533300D+01 -0.401237D+01 -0.323772D+01 -0.100493D+02
      3   0.451513D+01  0.606260D+01  0.473910D+01  0.330556D+01  0.166494D+02
               186           187           188           189           190 
      1  -0.231127D+01  0.606991D+00  0.209818D+01 -0.250684D+01  0.476866D+01
      2  -0.832993D+01 -0.196268D+01 -0.813057D+01 -0.991475D+01  0.114738D+02
      3   0.101180D+02  0.273940D+01  0.101656D+02  0.790345D+01  0.327276D+00
               191           192           193           194           195 
      1  -0.268370D+01  0.333846D+01 -0.290316D+01  0.173868D+01 -0.193632D+01
      2  -0.554461D+01  0.844830D+01 -0.491936D+01  0.216853D+01 -0.367005D+01
      3  -0.614271D+01  0.106692D+01 -0.272316D+01  0.532162D+01  0.659638D+00
               196           197           198           199           200 
      1   0.291947D+01 -0.432618D+00  0.242215D+01  0.369633D+00 -0.500601D+00
      2   0.669832D+01 -0.325815D+01  0.624208D+01  0.407635D+00  0.189928D+00
      3   0.191393D+01 -0.263428D+01  0.562622D+00  0.130732D+01 -0.136254D-01
               201           202           203           204           205 
      1   0.108566D+00 -0.454908D+01 -0.931280D-02 -0.117223D+01  0.626701D+00
      2  -0.429490D+00 -0.170170D+01 -0.195107D+01 -0.763606D-01 -0.380515D+01
      3   0.416556D+00  0.949454D+00  0.412795D+00  0.902481D+00  0.205008D+01
               206           207           208           209           210 
      1   0.290129D+01 -0.348894D+01  0.154714D+01  0.216303D-01  0.848076D-01
      2   0.593016D+00 -0.277478D+01  0.121653D+01 -0.309940D+00 -0.643332D+00
      3   0.151211D+01 -0.297307D-01 -0.280958D+01 -0.797078D+00 -0.194924D+00
               211           212           213           214           215 
      1  -0.586272D+01  0.470783D+00 -0.122806D+00  0.191260D+01  0.449447D+01
      2   0.145883D+01  0.173745D+01  0.266670D+01 -0.311430D+01  0.249708D+01
      3   0.934122D+01  0.707934D-02 -0.163269D+01 -0.286926D+01 -0.286181D+01
               216           217           218           219           220 
      1   0.408425D+00 -0.122979D+00 -0.657799D+00 -0.196113D+00  0.196362D+01
      2   0.105786D+02 -0.112868D+01 -0.191354D+01  0.528502D+00 -0.720435D+00
      3  -0.324365D+01  0.140735D+00  0.306651D+01  0.214922D+01 -0.674579D+01
               221           222           223           224           225 
      1   0.578421D+01 -0.334645D+00  0.642792D-01  0.227980D+01 -0.317675D-01
      2   0.981841D+01  0.774925D+01  0.340147D+01  0.584964D+01  0.795374D+01
      3  -0.329567D+02 -0.127113D+02 -0.106856D+01 -0.954175D+01 -0.660832D+01
               226           227           228           229           230 
      1  -0.379803D+00  0.621696D+00 -0.848371D+00  0.230558D+01 -0.302982D+01
      2  -0.133366D+00 -0.142566D+01  0.405094D+01 -0.430705D+01  0.859101D+01
      3   0.173678D+01 -0.282981D+01  0.209801D+01 -0.745502D+01  0.720402D+01
               231           232           233           234           235 
      1   0.253925D+01 -0.262575D+01  0.455550D+01 -0.466966D+01  0.158435D+01
      2  -0.121628D+02  0.893950D+01 -0.739000D+01  0.246921D+02 -0.161930D+02
      3  -0.110746D+02  0.457230D+01 -0.993758D+01  0.104623D+02  0.260260D+01
               236           237           238           239           240 
      1   0.939869D-01 -0.113746D+01  0.887840D+00  0.341713D+00 -0.515896D+00
      2  -0.911200D+00  0.116559D+02 -0.436379D+00 -0.726789D+00 -0.867130D+00
      3  -0.653219D+01 -0.488917D+00 -0.275706D+01 -0.909352D+00  0.401790D+00
               241           242           243 
      1  -0.121934D+01  0.874604D+00  0.754605D+00
      2   0.102427D+02 -0.860643D-01 -0.940851D+01
      3  -0.348537D+00  0.363060D+01  0.956965D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.748962D+01  0.701288D+01 -0.629960D+01  0.256644D+01  0.242374D+01
      2  -0.134881D+01 -0.165355D+02 -0.873557D+01 -0.114826D+02 -0.132650D+02
      3  -0.614081D+01  0.952262D+01  0.150352D+02  0.891618D+01  0.108413D+02
      4   0.146055D+02 -0.969891D+01  0.231447D+02 -0.637439D+01  0.643147D+01
      5  -0.185071D+02  0.193049D+02 -0.910882D+01  0.189643D+02  0.362197D+01
      6   0.143327D+02 -0.162442D+02  0.829454D+01 -0.111916D+02 -0.755831D+01
                 6             7             8             9            10 
      1   0.218263D+02 -0.623701D+01  0.218896D+02  0.150254D+01 -0.914717D+00
      2  -0.164412D+02 -0.996481D+01 -0.188925D+02  0.409401D+01  0.100251D+02
      3  -0.538514D+01  0.162018D+02 -0.299709D+01 -0.559654D+01 -0.911039D+01
      4  -0.643664D+01  0.239288D+02 -0.893290D+01  0.244654D+01 -0.151095D+02
      5   0.528594D+01 -0.829863D+01  0.840759D+01 -0.597351D+01  0.147675D+02
      6   0.417105D+01  0.708951D+01  0.255825D+01  0.183769D+01 -0.113065D+02
                11            12            13            14            15 
      1  -0.402896D+01  0.728155D+01 -0.790082D+01 -0.768963D+01 -0.227737D+02
      2   0.318875D+01 -0.742554D-02  0.351856D+01  0.118247D+02  0.106097D+02
      3   0.840210D+00 -0.727412D+01  0.438226D+01 -0.413511D+01  0.121640D+02
      4   0.361881D+01 -0.199153D+02  0.646192D+01 -0.239111D+02 -0.881081D+01
      5  -0.172378D+02 -0.737470D+01 -0.199110D+02 -0.175599D+02  0.587672D+00
      6   0.972493D+01 -0.153566D+01 -0.173322D+01  0.179584D+01 -0.777651D+01
                16            17            18            19            20 
      1   0.641865D+01 -0.210110D+02 -0.697284D+01  0.420246D+02  0.887503D+01
      2   0.704746D+01  0.124800D+02 -0.146620D+01 -0.445203D+02 -0.129672D+02
      3  -0.134661D+02  0.853104D+01  0.843904D+01  0.249568D+01  0.409217D+01
      4  -0.283382D+02 -0.339357D+01  0.710813D+00 -0.782404D-01 -0.122487D+02
      5  -0.877243D+01  0.409930D+00  0.394174D+01  0.511355D+01  0.301613D+01
      6  -0.170706D+01 -0.480549D+01 -0.225118D+00  0.760050D+01 -0.199425D+01
                21            22            23            24            25 
      1   0.308895D+01  0.198630D+02  0.499808D+01  0.561112D+01  0.233746D+01
      2  -0.219406D+01 -0.196131D+02 -0.130024D+02  0.161266D+01 -0.634806D+01
      3  -0.894887D+00 -0.249808D+00  0.800431D+01 -0.722378D+01  0.401060D+01
      4   0.424200D+01 -0.347859D+02 -0.520271D+01 -0.274155D+01  0.110953D+02
      5   0.470736D+01  0.241148D+01  0.277595D+01  0.391395D+01  0.522498D+01
      6   0.230329D+01  0.714724D+01  0.490931D+01  0.168718D+01  0.232194D+01
                26            27            28            29            30 
      1   0.883381D+01  0.168663D+02 -0.121787D+03 -0.671784D+01  0.586365D+01
      2  -0.292403D+01  0.648954D+01  0.903131D+02  0.485110D+01 -0.239499D+01
      3  -0.590978D+01 -0.233558D+02  0.314734D+02  0.186674D+01 -0.346866D+01
      4  -0.685219D+01  0.682841D+01  0.432692D+01 -0.110651D+02  0.196036D+01
      5   0.441242D+01  0.635089D+01 -0.682849D+01  0.174531D+01 -0.123049D+02
      6   0.756905D+00 -0.214222D+00 -0.133831D+02 -0.612288D+01  0.159926D+01
                31            32            33            34            35 
      1  -0.301035D+02 -0.240166D+02  0.671837D+01 -0.289087D+02  0.206347D+01
      2   0.254031D+02  0.233822D+02 -0.475141D+01  0.182398D+02 -0.274126D+01
      3   0.470042D+01  0.634396D+00 -0.196697D+01  0.106689D+02  0.677782D+00
      4  -0.347456D+01 -0.708197D+01  0.171147D+01 -0.182929D+01  0.219167D+00
      5  -0.679586D+00 -0.250909D+00 -0.233870D+01  0.226729D-01  0.161347D+01
      6  -0.344504D+01 -0.675335D+01  0.492563D+01 -0.147973D+01 -0.336459D-01
                36            37            38            39            40 
      1  -0.326078D+01  0.147652D+03  0.108917D+02 -0.916007D+01  0.302571D+02
      2  -0.249659D+01 -0.106248D+03 -0.679487D+01  0.610850D+01 -0.157770D+02
      3   0.575738D+01 -0.414041D+02 -0.409687D+01  0.305157D+01 -0.144802D+02
      4   0.171858D+01 -0.395573D+01  0.170742D+02 -0.136337D+01  0.307233D+02
      5   0.231999D+01 -0.807759D+01 -0.270069D+01  0.204808D+02 -0.405044D+01
      6  -0.496447D+01  0.158516D+02  0.610924D+01 -0.315839D+01  0.115870D+02
                41            42            43            44            45 
      1   0.141568D+01  0.257070D+01  0.320418D+02  0.902870D+01  0.127662D+02
      2   0.415396D+01  0.306071D+01 -0.199111D+02 -0.354669D+01 -0.102161D+01
      3  -0.556963D+01 -0.563141D+01 -0.121307D+02 -0.548201D+01 -0.117445D+02
      4   0.662822D+01  0.381955D+01 -0.155636D+01  0.417098D+01 -0.668794D+01
      5   0.405320D+01 -0.444896D+01  0.265958D+02 -0.457665D+01 -0.791420D+01
      6   0.111604D+01  0.519234D+01 -0.247138D+01  0.383232D+01 -0.586157D+01
                46            47            48            49            50 
      1  -0.626968D+02 -0.565041D+01 -0.103864D+02 -0.110092D+01 -0.325046D+01
      2   0.455969D+02 -0.159901D+01  0.242224D+01 -0.461529D+01  0.673794D+01
      3   0.170999D+02  0.724942D+01  0.796412D+01  0.571621D+01 -0.348748D+01
      4  -0.714209D+01 -0.163125D+02 -0.530535D+01  0.155658D+01  0.174492D+01
      5  -0.686444D+00 -0.248416D+01 -0.165996D+02 -0.235650D+02  0.579846D+01
      6  -0.118200D+02 -0.224649D+01 -0.910860D+00  0.188999D+01 -0.459070D+01
                51            52            53            54            55 
      1  -0.900122D+01  0.385679D+02 -0.496290D+01 -0.164382D+02  0.287376D+02
      2   0.100295D+02 -0.403162D+02 -0.584946D+00  0.212127D+02 -0.169390D+02
      3  -0.102829D+01  0.174829D+01  0.554785D+01 -0.477453D+01 -0.117986D+02
      4   0.717529D+01 -0.246820D+02  0.553773D+01  0.942873D+01 -0.668524D+01
      5   0.668511D+01 -0.603724D+02  0.438379D+01  0.445475D+02 -0.193853D+02
      6   0.386463D+01  0.119553D+02 -0.628534D+01 -0.696848D+01  0.197149D+01
                56            57            58            59            60 
      1  -0.284907D+01 -0.105870D+02 -0.209644D+02 -0.749430D+00  0.298926D+01
      2   0.268386D+01  0.724912D+01  0.135930D+02  0.842445D+00 -0.323111D+01
      3   0.165211D+00  0.333788D+01  0.737136D+01 -0.930144D-01  0.241858D+00
      4   0.121211D+02  0.491158D+01  0.214315D+02 -0.138840D+02 -0.205498D+02
      5   0.407620D+01  0.205992D+02  0.172424D+02 -0.201781D+02 -0.111117D+02
      6  -0.140166D+01 -0.122962D+01 -0.101290D+02  0.795150D+01  0.132293D+02
                61            62            63            64            65 
      1  -0.672129D+02 -0.307037D+01  0.172055D+01 -0.302910D+02  0.197055D+02
      2   0.533045D+02  0.233113D+01 -0.316259D+02  0.661068D+01 -0.387293D+01
      3   0.139085D+02  0.739238D+00  0.299053D+02  0.236803D+02 -0.158325D+02
      4   0.134274D+02 -0.160175D+02 -0.141946D+02  0.208454D+02 -0.585305D+01
      5   0.668849D+02 -0.845578D+01 -0.764144D+02 -0.166868D+02  0.234197D+02
      6  -0.107309D+02  0.146586D+02  0.884148D+01  0.864980D+01 -0.104209D+02
                66            67            68            69            70 
      1  -0.116617D+02  0.140167D+02  0.502273D+01  0.345678D+02 -0.224216D+02
      2  -0.967491D+00  0.174044D+01 -0.386829D+00 -0.253166D+02  0.175260D+01
      3   0.126292D+02 -0.157571D+02 -0.463590D+01 -0.925125D+01  0.206690D+02
      4   0.282671D+02 -0.104065D+02  0.647955D+01  0.120044D+02  0.343712D+02
      5   0.669862D+01  0.245957D+02  0.172275D+02 -0.135872D+02  0.418146D+01
      6  -0.865089D+01 -0.633853D+01 -0.107634D+02 -0.848377D+01 -0.733704D+01
                71            72            73            74            75 
      1   0.355677D+02  0.293614D+01 -0.506732D+02 -0.160171D+02 -0.127459D+02
      2  -0.254779D+02  0.870021D+00  0.215188D+02  0.911591D+01 -0.349209D+01
      3  -0.100898D+02 -0.380616D+01  0.291544D+02  0.690123D+01  0.162380D+02
      4   0.845006D+01 -0.618971D+01 -0.212194D+02  0.222699D+01 -0.312932D+01
      5  -0.997050D+01  0.623030D+01 -0.159543D+02 -0.378360D+01  0.102052D+02
      6  -0.886169D+01 -0.266822D+00 -0.268233D+01 -0.364878D+01  0.636802D+01
                76            77            78            79            80 
      1  -0.144686D+02  0.110988D+02 -0.407683D+01 -0.172442D+01 -0.274019D+01
      2   0.115296D+02 -0.601389D+01  0.111120D+02 -0.649400D+01  0.834019D+01
      3   0.293896D+01 -0.508495D+01 -0.703518D+01  0.821842D+01 -0.559999D+01
      4   0.109985D+02  0.261014D+02  0.146744D+02  0.686024D+00  0.741957D+01
      5  -0.586650D+01  0.222706D+02 -0.509626D+01  0.133870D+02 -0.585639D+01
      6   0.449367D+01  0.100999D+02  0.146495D+01  0.540457D+01 -0.573974D+00
                81            82            83            84            85 
      1   0.223531D+02 -0.109923D+02 -0.999021D+01 -0.947705D+01 -0.102327D+02
      2  -0.231063D+01  0.180002D+02  0.253942D+02  0.146707D+02  0.223229D+02
      3  -0.200425D+02 -0.700793D+01 -0.154040D+02 -0.519368D+01 -0.120902D+02
      4  -0.237926D+01  0.944569D+01  0.100142D+02  0.111497D+02  0.212075D+02
      5  -0.102770D+02  0.226287D+01  0.118623D+02 -0.156720D+02  0.126090D+02
      6  -0.801134D+01  0.164318D+01  0.135667D+02 -0.130600D+02  0.599254D+01
                86            87            88            89            90 
      1   0.114348D+02  0.101232D+02 -0.274566D+02  0.112965D+02 -0.979304D+01
      2  -0.113692D+02 -0.868614D+01  0.306614D+02 -0.910857D+01  0.612282D+01
      3  -0.655310D-01 -0.143704D+01 -0.320488D+01 -0.218794D+01  0.367023D+01
      4   0.102780D+02  0.617480D+01  0.215841D+02  0.131599D+02 -0.978726D+01
      5  -0.110186D+01  0.168531D+00 -0.207499D+02 -0.522014D+01  0.496639D+01
      6  -0.624489D+01 -0.290601D+01 -0.166647D+02 -0.512219D+01  0.700738D+01
                91            92            93            94            95 
      1  -0.144537D+02  0.811208D+01  0.410891D+02  0.188892D+02  0.122970D+02
      2   0.546127D+01 -0.220271D+01 -0.194611D+02 -0.154319D+02 -0.102362D+02
      3   0.899240D+01 -0.590937D+01 -0.216281D+02 -0.345722D+01 -0.206080D+01
      4   0.139919D+02  0.132330D+02  0.117984D+02 -0.392047D+01 -0.292809D+02
      5   0.473160D+02  0.109694D+02 -0.206154D+01  0.136745D+02 -0.271789D+02
      6   0.675133D+01  0.450383D+01  0.249648D+01 -0.334478D+01 -0.994287D+01
                96            97            98            99           100 
      1   0.110841D+02  0.588435D+02  0.102414D+02 -0.193501D+02  0.859118D+02
      2  -0.165029D+02 -0.277149D+02 -0.125658D+02  0.145387D+02 -0.428358D+02
      3   0.541874D+01 -0.311286D+02  0.232442D+01  0.481140D+01 -0.430759D+02
      4  -0.292718D+02  0.131335D+02 -0.223552D+02  0.116838D+02  0.331451D+02
      5   0.180695D+02 -0.226776D+02  0.120724D+02 -0.281969D+02  0.267812D+02
      6  -0.901136D+01  0.362749D+01 -0.509110D+01  0.595834D+01  0.716975D+01
               101           102           103           104           105 
      1   0.141567D+02  0.139379D+02  0.625366D+01  0.700197D+01  0.121150D+01
      2  -0.404969D+01 -0.884677D+01 -0.427540D+00  0.569785D+00 -0.119099D+01
      3  -0.101070D+02 -0.509115D+01 -0.582612D+01 -0.757175D+01 -0.205088D-01
      4   0.190083D+02  0.737597D+01  0.152787D+02  0.663012D+01  0.226866D+01
      5   0.620038D+01  0.154203D+02  0.327304D+01  0.173050D+01  0.191702D+01
      6   0.440258D+01  0.408500D+01  0.303740D+01  0.562835D+00  0.237966D+01
               106           107           108           109           110 
      1   0.227790D+01  0.912608D+00  0.499724D+01  0.157849D+01  0.460968D+01
      2  -0.249966D+01 -0.215291D+01 -0.522872D+01 -0.299926D+01 -0.280259D+01
      3   0.221759D+00  0.124030D+01  0.231479D+00  0.142077D+01 -0.180709D+01
      4   0.202558D+01 -0.579959D+00  0.450850D+01  0.205499D+01 -0.201705D+01
      5   0.113418D+02  0.357532D+01  0.669447D+01  0.308992D+01  0.692303D-01
      6   0.294205D+01  0.193652D+01  0.293396D+01  0.283529D+01 -0.268410D+01
               111           112           113           114           115 
      1   0.101992D+02  0.191090D+01 -0.639890D+01 -0.310115D+01  0.745715D+01
      2   0.638913D+00 -0.138462D+01  0.229740D+01  0.101163D+01 -0.422351D+01
      3  -0.108381D+02 -0.526285D+00  0.410150D+01  0.208951D+01 -0.323364D+01
      4   0.108689D+01  0.151221D+01  0.964697D+00  0.292019D+01  0.338425D+01
      5  -0.404960D+01  0.137048D+01  0.175560D+01  0.382184D+01  0.591319D+01
      6  -0.488809D+01 -0.732581D+00  0.393101D+01  0.920577D+01  0.993256D+00
               116           117           118           119           120 
      1  -0.569385D+01 -0.234765D+02  0.188495D+00 -0.129493D-02 -0.249487D+01
      2   0.655390D+00 -0.123160D+02 -0.407641D+01 -0.151142D+00 -0.617794D+00
      3   0.503847D+01  0.357925D+02  0.388791D+01  0.152437D+00  0.311266D+01
      4   0.728870D+01  0.684196D+01 -0.104828D+01  0.264256D+01 -0.285128D-02
      5   0.777288D+01  0.327495D+02  0.116561D+00  0.963176D+00  0.654915D+01
      6   0.961683D+01  0.193730D+02  0.573854D+00  0.378544D+00 -0.290430D+00
               121           122           123           124           125 
      1   0.764625D+00 -0.633141D+01 -0.413596D+01 -0.179175D+01 -0.138471D+01
      2  -0.567064D+00  0.244609D+01 -0.207725D+01  0.869939D+00 -0.226103D+01
      3  -0.197561D+00  0.388532D+01  0.621321D+01  0.921814D+00  0.364573D+01
      4   0.177215D+01 -0.178371D+01 -0.158117D+01 -0.340725D+00 -0.249584D+01
      5   0.132831D+01 -0.196229D+01 -0.248316D+01  0.565833D+01 -0.168337D+01
      6   0.201514D+00  0.111505D+01  0.618050D+01 -0.582771D+00  0.549347D+01
               126           127           128           129           130 
      1  -0.252617D+02 -0.684566D+01  0.191732D+02  0.247968D+01  0.100517D+02
      2  -0.131096D+02  0.879713D+01 -0.269908D+02 -0.340034D+01 -0.128134D+02
      3   0.383713D+02 -0.195146D+01  0.781761D+01  0.920663D+00  0.276175D+01
      4  -0.342723D+01 -0.433620D+01  0.155156D+01 -0.618572D+00  0.574494D+01
      5  -0.116214D+02  0.488308D+00 -0.118972D+01  0.139929D+01 -0.116109D+01
      6  -0.836612D+00  0.135074D+01 -0.283822D+01 -0.245788D+01 -0.122913D+01
               131           132           133           134           135 
      1  -0.353097D+02 -0.348003D+01  0.509665D+01 -0.986486D+01 -0.506677D+01
      2   0.542237D+02  0.499007D+01 -0.493442D+01  0.136928D+02  0.581934D+01
      3  -0.189140D+02 -0.151004D+01 -0.162229D+00 -0.382791D+01 -0.752575D+00
      4   0.986440D+01  0.574947D-01  0.585054D+00  0.246994D+01  0.248340D+01
      5   0.104214D+01  0.245639D+01  0.340156D+01  0.298074D+01  0.854730D+00
      6   0.461344D+01  0.784594D+01  0.532069D+00  0.965158D+01  0.364045D+01
               136           137           138           139           140 
      1   0.113010D+02  0.110278D+01 -0.218270D+01  0.299871D+01 -0.613589D+01
      2  -0.387857D+01  0.320806D+01 -0.807502D+00  0.379692D+00  0.116153D+02
      3  -0.742245D+01 -0.431084D+01  0.299021D+01 -0.337840D+01 -0.547941D+01
      4   0.172566D+02  0.151115D+02 -0.115828D+02  0.112897D+02  0.134788D+02
      5  -0.153680D+02 -0.977109D+01  0.162459D+02 -0.651941D+01 -0.942062D+01
      6  -0.971761D+01 -0.918864D+01  0.110972D+02 -0.733417D+01 -0.105208D+02
               141           142           143           144           145 
      1   0.246727D+01  0.435332D+00  0.637108D+01 -0.570006D+01 -0.685075D+01
      2  -0.439658D+01 -0.329961D+01 -0.875421D+01  0.141495D+00 -0.334170D+01
      3   0.192931D+01  0.286427D+01  0.238312D+01  0.555856D+01  0.101924D+02
      4  -0.996877D+01 -0.182502D+02 -0.170325D+02  0.157876D+02  0.626641D+01
      5   0.808510D+01  0.188652D+02  0.138209D+02 -0.229558D+02 -0.218521D+01
      6   0.101826D+02  0.146659D+02  0.169289D+02 -0.219539D+02 -0.367683D+01
               146           147           148           149           150 
      1  -0.361171D+01  0.109996D+02  0.101559D+01 -0.200050D+01 -0.580631D+01
      2   0.593978D+01  0.390773D+01  0.325577D+01 -0.484926D-01 -0.141017D+01
      3  -0.232807D+01 -0.149073D+02 -0.427137D+01  0.204899D+01  0.721647D+01
      4  -0.589733D+00 -0.606959D+01 -0.174694D+01  0.259951D+01  0.164871D+01
      5  -0.121294D+01  0.149339D+01 -0.838572D+00 -0.551912D+00  0.249777D+01
      6  -0.202450D+01  0.575928D+01 -0.118558D+01  0.250563D+01  0.776400D+00
               151           152           153           154           155 
      1   0.848898D+01 -0.867423D+00 -0.164310D+02  0.163620D+02 -0.190254D+01
      2   0.394006D+01 -0.206886D+01 -0.788215D+01 -0.807711D+01 -0.321082D+01
      3  -0.124290D+02  0.293628D+01  0.243132D+02 -0.828491D+01  0.511336D+01
      4  -0.794339D+01  0.262635D+01  0.478439D+01 -0.280259D+02  0.225777D+02
      5   0.393061D+01 -0.124665D+01  0.364958D+01  0.250069D+02 -0.147390D+02
      6   0.283401D+01  0.431449D+01 -0.902277D+01 -0.136576D+02  0.137183D+02
               156           157           158           159           160 
      1   0.243092D+01 -0.175725D+01 -0.321323D+01  0.137847D+01  0.406416D+01
      2  -0.392133D+01 -0.165006D+01  0.920538D+01 -0.156325D+01 -0.414842D+01
      3   0.149041D+01  0.340730D+01 -0.599215D+01  0.184788D+00  0.842641D-01
      4  -0.168840D+02  0.159527D+02 -0.167977D+02  0.106053D+02 -0.143949D+02
      5   0.210261D+02 -0.953861D+01  0.938189D+01 -0.845048D+01  0.173174D+02
      6  -0.137196D+02  0.937660D+01 -0.111515D+02  0.101002D+02 -0.105962D+02
               161           162           163           164           165 
      1   0.144071D+01 -0.232551D+01 -0.634481D+01 -0.117664D+02 -0.416666D-01
      2  -0.677174D+00 -0.465420D+01  0.827081D+01  0.175630D+02  0.353255D+01
      3  -0.763535D+00  0.697971D+01 -0.192600D+01 -0.579663D+01 -0.349089D+01
      4   0.113743D+02 -0.129342D+02  0.219879D+01  0.325854D+01 -0.961627D+00
      5  -0.113313D+02  0.185682D+02 -0.780072D+00 -0.413075D+01  0.144851D+00
      6   0.116014D+02 -0.145926D+02 -0.583390D+00 -0.100164D+00  0.269916D+01
               166           167           168           169           170 
      1  -0.689535D+01 -0.240502D+02 -0.314385D+01 -0.286129D+01 -0.113563D+02
      2   0.104326D+02  0.400651D+02  0.754334D+01  0.466288D+01  0.175986D+02
      3  -0.353729D+01 -0.160149D+02 -0.439949D+01 -0.180159D+01 -0.624229D+01
      4   0.527862D+01 -0.832940D+01  0.481410D+00  0.570253D+00 -0.405867D+01
      5  -0.415166D+01 -0.482950D+01 -0.402887D+01  0.164293D+00 -0.377101D+01
      6   0.771971D+00 -0.199305D+01  0.648339D+01  0.103528D+01  0.482812D+01
               171           172           173           174           175 
      1  -0.448373D+01  0.172973D+02  0.459379D+01 -0.810230D+01  0.139711D+02
      2   0.562865D+01 -0.120438D+02 -0.536330D+01  0.958451D+01 -0.121451D+02
      3  -0.114491D+01 -0.525344D+01  0.769513D+00 -0.148220D+01 -0.182605D+01
      4  -0.932131D+00  0.290728D+01  0.700131D+01 -0.633979D+01  0.724465D+01
      5  -0.281053D+01 -0.130758D+02 -0.876259D+01  0.137690D+02 -0.164835D+02
      6   0.539400D+01 -0.180923D+01 -0.751977D+00  0.117772D+01 -0.952433D+00
               176           177           178           179           180 
      1   0.397754D+01 -0.904162D+01 -0.966643D+01 -0.633549D+01  0.532441D+01
      2  -0.608022D+01  0.136653D+02  0.124060D+02  0.101899D+02 -0.170505D+02
      3   0.210268D+01 -0.462367D+01 -0.273955D+01 -0.385437D+01  0.117261D+02
      4   0.161491D+02 -0.101520D+02 -0.643542D+01 -0.107240D+02  0.830056D+01
      5  -0.124049D+02  0.198543D+02  0.190569D+02  0.116504D+02 -0.289841D+02
      6  -0.528579D+01  0.403055D+01  0.883699D+00  0.588287D+01 -0.112843D+01
               181           182           183           184           185 
      1  -0.332738D+01 -0.128526D+02 -0.748291D+01 -0.964560D+01 -0.207153D+02
      2   0.298744D+01  0.934499D+01  0.303328D+01  0.420288D+01  0.211672D+02
      3   0.339933D+00  0.350760D+01  0.444963D+01  0.544272D+01 -0.451992D+00
      4  -0.993492D+00 -0.393822D+01 -0.482716D+01  0.695640D+01 -0.240788D+02
      5   0.211159D+01 -0.388538D+01 -0.403760D+01  0.235625D+01 -0.134405D+02
      6   0.205061D+01  0.776469D+01  0.690504D+01 -0.103494D+00  0.205982D+02
               186           187           188           189           190 
      1  -0.151138D+02 -0.389039D+01 -0.155573D+02 -0.134754D+02  0.701717D+02
      2   0.886954D+01  0.263402D+01  0.932445D+01  0.256502D+01 -0.273780D+02
      3   0.624426D+01  0.125637D+01  0.623285D+01  0.109103D+02 -0.427937D+02
      4  -0.136329D+02  0.137580D+00 -0.133406D+02 -0.980753D+01 -0.388550D+02
      5  -0.113455D+02  0.434849D+01 -0.972446D+01 -0.150019D+02  0.227329D+01
      6   0.165194D+02  0.654401D+00  0.157911D+02  0.153958D+02 -0.128266D+01
               191           192           193           194           195 
      1  -0.204753D+02  0.101229D+02 -0.201760D+02  0.100795D+02 -0.526117D+01
      2   0.339496D+01 -0.183215D+01  0.270989D+01  0.128209D+01  0.124727D+01
      3   0.170804D+02 -0.829074D+01  0.174662D+02 -0.113616D+02  0.401389D+01
      4   0.226453D+02 -0.694291D+01  0.246635D+02 -0.188430D+02  0.265966D+01
      5  -0.246878D+01  0.111431D+02 -0.192104D+01 -0.114306D+00 -0.342698D+01
      6   0.214876D+00 -0.307688D+01  0.441767D-01  0.101176D+01  0.400502D+01
               196           197           198           199           200 
      1   0.285259D+02 -0.100576D+02  0.869430D+01 -0.161380D+01 -0.100571D+01
      2  -0.919677D+01  0.182675D+01 -0.362438D+01  0.193127D+01  0.773895D+00
      3  -0.193291D+02  0.823082D+01 -0.506992D+01 -0.317468D+00  0.231812D+00
      4  -0.192410D+02  0.112280D+02 -0.610189D+01  0.479056D+00  0.119681D+01
      5   0.989379D+01 -0.361776D+01  0.922507D+01 -0.807998D+00  0.576149D+00
      6  -0.303497D+01  0.323120D+01 -0.369275D+01  0.110870D+01 -0.133080D-01
               201           202           203           204           205 
      1  -0.120729D+01 -0.234487D+01 -0.106705D+01 -0.430385D+01 -0.572633D+01
      2   0.100272D+01 -0.156554D+01  0.478838D+00  0.220178D+01  0.276480D+01
      3   0.204568D+00  0.391042D+01  0.588210D+00  0.210207D+01  0.296153D+01
      4   0.901941D+00  0.162557D+00 -0.113188D+01 -0.182616D+01  0.997825D+00
      5   0.175869D+01  0.554157D+00 -0.115857D+01 -0.516160D+00  0.833841D+00
      6   0.107181D+00 -0.122742D+01  0.313934D+01  0.314481D+01  0.120392D+01
               206           207           208           209           210 
      1  -0.567547D+01 -0.123570D+02  0.244580D+01  0.206807D+01  0.546276D+01
      2   0.398624D+01  0.191466D+01 -0.339072D+01 -0.115442D+01 -0.206305D+01
      3   0.168923D+01  0.104423D+02  0.944918D+00 -0.913648D+00 -0.339971D+01
      4  -0.127868D+01 -0.243481D+01  0.261681D+01  0.134827D+01  0.156574D+01
      5  -0.156889D+01 -0.435220D+01  0.528968D+01  0.176048D+01  0.462254D+01
      6   0.488037D+01  0.702005D+01  0.172407D+01 -0.127621D+00  0.587588D+00
               211           212           213           214           215 
      1   0.236972D+01 -0.357333D+01 -0.370626D+01  0.199466D+01 -0.438054D+01
      2  -0.409239D+01  0.332972D+00 -0.188502D+01 -0.371402D+01 -0.401922D+00
      3   0.172267D+01  0.324036D+01  0.559129D+01  0.171936D+01  0.478247D+01
      4  -0.234839D+01  0.129955D+01  0.205566D+01  0.321911D+01  0.344196D+01
      5   0.465156D+01  0.288011D+01  0.643828D+01  0.788342D+01  0.529624D+01
      6  -0.158331D+01  0.250194D+01  0.388431D+01  0.226950D+01  0.615833D+01
               216           217           218           219           220 
      1  -0.191064D+02  0.312752D+01  0.790029D+01 -0.160000D+00  0.209957D+02
      2  -0.830347D+01 -0.418927D+00 -0.545460D+01 -0.108334D+00 -0.624323D+01
      3   0.274099D+02 -0.270859D+01 -0.244568D+01  0.268333D+00 -0.147524D+02
      4   0.410126D+01  0.290182D+01 -0.192396D+00 -0.156829D+01  0.213344D+02
      5   0.212394D+02 -0.250313D+01 -0.904308D+00  0.994801D-01  0.926762D+01
      6   0.601135D+01  0.193375D+01 -0.130951D+01 -0.158509D+01  0.492321D+01
               221           222           223           224           225 
      1  -0.883972D+01 -0.329212D+01  0.690130D+01 -0.375153D+01  0.135969D+01
      2   0.209937D+02  0.461413D+01 -0.384326D+01  0.325824D+01 -0.177968D+01
      3  -0.121540D+02 -0.132201D+01 -0.305804D+01  0.493294D+00  0.419987D+00
      4   0.584731D+02  0.219239D+02  0.424706D+01  0.174284D+02  0.112863D+02
      5   0.204237D+02  0.154913D+02  0.133189D+02  0.114589D+02  0.180001D+02
      6   0.173148D+02  0.117342D+02  0.208686D+01  0.987842D+01  0.647286D+01
               226           227           228           229           230 
      1   0.160698D+02 -0.622000D+01  0.638436D+01 -0.193175D+02  0.185667D+01
      2  -0.111712D+02  0.394876D+01 -0.518383D+01  0.127235D+02 -0.175378D+01
      3  -0.489853D+01  0.227124D+01 -0.120053D+01  0.659402D+01 -0.102887D+00
      4  -0.684574D+01  0.428012D+01 -0.527077D+01  0.130469D+02 -0.142896D+02
      5   0.823650D+01 -0.597575D+01  0.113854D+02 -0.169164D+02  0.185350D+02
      6  -0.276690D+01  0.545748D+00 -0.743915D+00  0.451447D+01 -0.596541D+01
               231           232           233           234           235 
      1  -0.568797D+01  0.230602D+02 -0.140100D+00  0.976634D+01  0.967053D+02
      2   0.995397D+01 -0.178036D+02  0.525252D+01 -0.217278D+02 -0.459813D+02
      3  -0.426599D+01 -0.525657D+01 -0.511242D+01  0.119614D+02 -0.507240D+02
      4   0.197260D+02 -0.513961D+01  0.195832D+02 -0.164967D+02  0.675786D+01
      5  -0.261545D+02  0.331347D+02 -0.152478D+02  0.549457D+02 -0.188442D+02
      6   0.877413D+01 -0.286870D+01  0.720384D+01 -0.671505D+01 -0.286119D+01
               236           237           238           239           240 
      1   0.222782D+01 -0.231332D+02 -0.468665D+01  0.825530D+01 -0.621029D+00
      2   0.721297D-01  0.977453D+01  0.333727D+01 -0.250377D+01  0.928493D+00
      3  -0.229995D+01  0.133587D+02  0.134938D+01 -0.575153D+01 -0.307464D+00
      4   0.132246D+02 -0.262439D+01  0.131447D+02  0.299715D+01 -0.177189D+01
      5  -0.171867D+01  0.174222D+02 -0.696082D+00 -0.134447D+01 -0.228414D+01
      6   0.187794D+00  0.182747D+01 -0.286018D+00  0.601810D+00  0.235753D+01
               241           242           243 
      1  -0.507231D+02 -0.279479D+01  0.192377D+02
      2   0.240200D+02  0.122294D+01 -0.107740D+02
      3   0.267031D+02  0.157185D+01 -0.846370D+01
      4  -0.524202D+01 -0.733662D+01  0.462518D+00
      5   0.222161D+02 -0.790526D-01 -0.166181D+02
      6   0.247904D+01  0.178911D+01 -0.243406D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:43:57 2021, MaxMem=  5368709120 cpu:           50898.9 elap:            6375.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25078 -10.38378 -10.31651 -10.31311 -10.30541
 Alpha  occ. eigenvalues --  -10.29860 -10.29768 -10.29675 -10.29130 -10.28899
 Alpha  occ. eigenvalues --  -10.28372  -1.14081  -0.97363  -0.89840  -0.85282
 Alpha  occ. eigenvalues --   -0.84131  -0.79060  -0.77523  -0.71342  -0.69017
 Alpha  occ. eigenvalues --   -0.62917  -0.61276  -0.57108  -0.56680  -0.54789
 Alpha  occ. eigenvalues --   -0.53653  -0.52940  -0.52354  -0.50516  -0.49403
 Alpha  occ. eigenvalues --   -0.47879  -0.47624  -0.46880  -0.44957  -0.44710
 Alpha  occ. eigenvalues --   -0.44033  -0.42869  -0.39988  -0.38897  -0.37985
 Alpha  occ. eigenvalues --   -0.33767  -0.33083
 Alpha virt. eigenvalues --    0.01306   0.03331   0.03924   0.04440   0.04658
 Alpha virt. eigenvalues --    0.05607   0.05874   0.06210   0.06468   0.06790
 Alpha virt. eigenvalues --    0.07786   0.07917   0.08204   0.09413   0.09711
 Alpha virt. eigenvalues --    0.10214   0.10471   0.11295   0.11592   0.12267
 Alpha virt. eigenvalues --    0.12684   0.12935   0.13345   0.14123   0.14661
 Alpha virt. eigenvalues --    0.15238   0.15283   0.15707   0.15739   0.15869
 Alpha virt. eigenvalues --    0.16138   0.16428   0.17220   0.17255   0.17590
 Alpha virt. eigenvalues --    0.18034   0.18275   0.19038   0.19217   0.19588
 Alpha virt. eigenvalues --    0.19754   0.20167   0.20688   0.21269   0.21396
 Alpha virt. eigenvalues --    0.21840   0.22263   0.22631   0.22764   0.23312
 Alpha virt. eigenvalues --    0.24358   0.24756   0.24899   0.25630   0.26216
 Alpha virt. eigenvalues --    0.26767   0.27538   0.28337   0.28684   0.29157
 Alpha virt. eigenvalues --    0.29774   0.30190   0.30489   0.31058   0.31422
 Alpha virt. eigenvalues --    0.32021   0.32242   0.32799   0.33014   0.34050
 Alpha virt. eigenvalues --    0.34297   0.34691   0.35043   0.35930   0.36667
 Alpha virt. eigenvalues --    0.37025   0.37228   0.37683   0.37919   0.38554
 Alpha virt. eigenvalues --    0.39057   0.40203   0.41030   0.41319   0.41710
 Alpha virt. eigenvalues --    0.42285   0.42763   0.43450   0.43457   0.43858
 Alpha virt. eigenvalues --    0.44330   0.44589   0.44815   0.45006   0.45787
 Alpha virt. eigenvalues --    0.46615   0.46838   0.47267   0.47648   0.48465
 Alpha virt. eigenvalues --    0.49156   0.49735   0.50331   0.51641   0.52074
 Alpha virt. eigenvalues --    0.52540   0.53097   0.53800   0.53888   0.54914
 Alpha virt. eigenvalues --    0.55445   0.56087   0.56455   0.56763   0.57239
 Alpha virt. eigenvalues --    0.57662   0.58491   0.59175   0.59559   0.60256
 Alpha virt. eigenvalues --    0.60772   0.61223   0.61688   0.62188   0.62314
 Alpha virt. eigenvalues --    0.62607   0.62869   0.63327   0.64465   0.64825
 Alpha virt. eigenvalues --    0.65444   0.65800   0.66343   0.66408   0.66897
 Alpha virt. eigenvalues --    0.67281   0.68394   0.69011   0.69267   0.70003
 Alpha virt. eigenvalues --    0.70422   0.71244   0.71747   0.72076   0.72529
 Alpha virt. eigenvalues --    0.73186   0.74489   0.74529   0.74752   0.75433
 Alpha virt. eigenvalues --    0.75616   0.76265   0.77255   0.77510   0.78010
 Alpha virt. eigenvalues --    0.78207   0.79022   0.79660   0.80503   0.80693
 Alpha virt. eigenvalues --    0.81340   0.81649   0.82585   0.83809   0.83909
 Alpha virt. eigenvalues --    0.84421   0.85165   0.85389   0.87199   0.87481
 Alpha virt. eigenvalues --    0.88276   0.88575   0.89128   0.90483   0.91054
 Alpha virt. eigenvalues --    0.91546   0.92461   0.93430   0.94549   0.95485
 Alpha virt. eigenvalues --    0.96385   0.96993   0.98851   0.99514   1.00563
 Alpha virt. eigenvalues --    1.00918   1.01867   1.03212   1.04378   1.05459
 Alpha virt. eigenvalues --    1.05986   1.06940   1.07648   1.09004   1.10296
 Alpha virt. eigenvalues --    1.11313   1.12680   1.13472   1.15055   1.15412
 Alpha virt. eigenvalues --    1.15799   1.17009   1.18436   1.19231   1.22714
 Alpha virt. eigenvalues --    1.24545   1.25231   1.26750   1.27239   1.27750
 Alpha virt. eigenvalues --    1.30338   1.30816   1.32671   1.34355   1.35589
 Alpha virt. eigenvalues --    1.35999   1.37025   1.37977   1.40329   1.41592
 Alpha virt. eigenvalues --    1.43406   1.43604   1.46457   1.47980   1.49579
 Alpha virt. eigenvalues --    1.50504   1.51699   1.54096   1.55842   1.56307
 Alpha virt. eigenvalues --    1.56959   1.58517   1.59321   1.60118   1.61016
 Alpha virt. eigenvalues --    1.63294   1.64026   1.65512   1.66181   1.67235
 Alpha virt. eigenvalues --    1.67915   1.68753   1.69712   1.70405   1.71264
 Alpha virt. eigenvalues --    1.72102   1.72780   1.74286   1.76014   1.76474
 Alpha virt. eigenvalues --    1.77113   1.78320   1.79561   1.80850   1.82018
 Alpha virt. eigenvalues --    1.82760   1.83380   1.85344   1.86882   1.87108
 Alpha virt. eigenvalues --    1.88238   1.88858   1.89684   1.91436   1.91827
 Alpha virt. eigenvalues --    1.94214   1.94778   1.96513   1.97837   1.98145
 Alpha virt. eigenvalues --    1.99978   2.01968   2.03411   2.04129   2.06626
 Alpha virt. eigenvalues --    2.07619   2.08176   2.10002   2.10587   2.11481
 Alpha virt. eigenvalues --    2.12325   2.12904   2.14680   2.15483   2.16186
 Alpha virt. eigenvalues --    2.16933   2.18253   2.18823   2.19919   2.20556
 Alpha virt. eigenvalues --    2.21673   2.22278   2.23374   2.25577   2.26874
 Alpha virt. eigenvalues --    2.27544   2.29533   2.30005   2.31657   2.34241
 Alpha virt. eigenvalues --    2.34618   2.35109   2.35805   2.36496   2.37701
 Alpha virt. eigenvalues --    2.41184   2.42184   2.42939   2.45840   2.46627
 Alpha virt. eigenvalues --    2.47510   2.49314   2.51345   2.52495   2.53939
 Alpha virt. eigenvalues --    2.55641   2.56393   2.59027   2.60183   2.61557
 Alpha virt. eigenvalues --    2.64767   2.65218   2.66563   2.67769   2.67982
 Alpha virt. eigenvalues --    2.69832   2.71457   2.73239   2.73938   2.74766
 Alpha virt. eigenvalues --    2.76714   2.79247   2.82227   2.85043   2.85999
 Alpha virt. eigenvalues --    2.87419   2.91740   2.93711   2.98722   2.99226
 Alpha virt. eigenvalues --    3.11593   3.13382   3.18320   3.20890   3.30409
 Alpha virt. eigenvalues --    3.38125   3.50705   3.53881   3.57203   3.64313
 Alpha virt. eigenvalues --    3.66231   3.79658   3.86535   3.98822   5.11160
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.852173  -0.475030   0.425410  -0.184682  -0.035829   0.004466
     2  C   -0.475030   9.754329  -3.895153   1.702307  -0.547280  -0.011489
     3  C    0.425410  -3.895153  20.004559  -8.232614   1.764702  -0.452646
     4  C   -0.184682   1.702307  -8.232614  19.711380  -6.984080  -0.062244
     5  C   -0.035829  -0.547280   1.764702  -6.984080  13.934205  -1.811418
     6  C    0.004466  -0.011489  -0.452646  -0.062244  -1.811418   7.664312
     7  O    0.002228   0.004337   0.013053  -0.030982   0.001208   0.310992
     8  C   -0.410353  -0.427610   0.155833  -0.398711   0.048861   0.012317
     9  C   -0.171822  -0.833284   0.699394  -0.175246   0.001896   0.016588
    10  C   -0.254891   1.356623  -2.948923   0.750998  -0.394786  -0.056429
    11  C   -0.003582  -0.013685  -0.033639  -0.344503   0.291940   0.032076
    12  H    0.134721  -0.050761  -0.183062   0.025393  -0.005685  -0.000331
    13  H   -0.261531   0.255644   0.039014   0.272343  -0.020399   0.006247
    14  H   -0.180851   0.245521  -2.693025   0.413144   0.122883   0.001346
    15  H    0.020217  -0.099897  -0.482764  -0.012697   0.209780  -0.018322
    16  H    0.014629   0.056177   0.279557   0.325349  -0.091963   0.017648
    17  H    0.116714   0.360111  -0.271435  -0.143500   0.087952  -0.013862
    18  H   -0.021173  -0.104704   0.180247  -0.022787   0.009475   0.004952
    19  H    0.348197  -0.016361  -0.132268   0.116628  -0.029823  -0.003840
    20  H   -0.054827   0.684579  -0.177627   0.018958  -0.035179  -0.003593
    21  H    0.020150  -0.108601  -0.004087   0.055572   0.003901   0.004867
    22  H    0.038826  -0.025215  -0.036946   0.037274  -0.001997   0.002502
    23  H    0.049960  -0.196984   0.713900  -2.449745   0.145518   0.080300
    24  H    0.016896   0.013113  -0.129200   0.548071  -1.953295   0.419654
    25  H    0.000092  -0.001982  -0.012977   0.029201  -0.078699   0.005813
    26  H   -0.001242  -0.000786  -0.017229   0.023260  -0.069188  -0.006834
    27  H    0.000474  -0.001055   0.015046  -0.058042   0.246014  -0.018887
               7          8          9         10         11         12
     1  C    0.002228  -0.410353  -0.171822  -0.254891  -0.003582   0.134721
     2  C    0.004337  -0.427610  -0.833284   1.356623  -0.013685  -0.050761
     3  C    0.013053   0.155833   0.699394  -2.948923  -0.033639  -0.183062
     4  C   -0.030982  -0.398711  -0.175246   0.750998  -0.344503   0.025393
     5  C    0.001208   0.048861   0.001896  -0.394786   0.291940  -0.005685
     6  C    0.310992   0.012317   0.016588  -0.056429   0.032076  -0.000331
     7  O    8.480613  -0.000251  -0.001398   0.002384  -0.076769   0.000068
     8  C   -0.000251   5.834413  -0.356485   0.165443   0.005751   0.021862
     9  C   -0.001398  -0.356485   6.781301  -0.683890   0.002398  -0.365691
    10  C    0.002384   0.165443  -0.683890   7.483375  -0.018016   0.171589
    11  C   -0.076769   0.005751   0.002398  -0.018016   5.059539   0.000003
    12  H    0.000068   0.021862  -0.365691   0.171589   0.000003   2.555871
    13  H   -0.000052   0.005229  -0.403988  -0.111335   0.000818  -0.761681
    14  H    0.000660   0.036591   0.044482   0.517453   0.027015   0.038329
    15  H    0.002231  -0.077503   0.239477  -0.141443   0.000594   0.181261
    16  H   -0.000332   0.043456  -0.086817  -0.643531  -0.001058  -0.254886
    17  H   -0.005758  -0.058211  -0.117769   0.180586  -0.001927   0.026089
    18  H    0.000593   0.174077   0.002152  -0.056951   0.000746   0.014191
    19  H    0.000941  -0.081222   0.010706  -0.015294  -0.001923   0.002692
    20  H    0.000260  -0.037396  -0.099025  -0.059415  -0.000314  -0.039081
    21  H   -0.000229   0.227906  -0.006662   0.009286   0.000949   0.018589
    22  H   -0.000116   0.123278   0.044842   0.015133   0.000163  -0.037558
    23  H   -0.052630   0.071775  -0.045745  -0.210105   0.015776   0.018774
    24  H   -0.065724   0.000804   0.016746   0.025854  -0.322827   0.003627
    25  H    0.018158  -0.000249  -0.000019  -0.001091   0.391267  -0.000118
    26  H    0.018860   0.000174   0.000764  -0.003855   0.409366  -0.000060
    27  H   -0.009305   0.000132   0.000143  -0.000338   0.055061   0.000053
              13         14         15         16         17         18
     1  C   -0.261531  -0.180851   0.020217   0.014629   0.116714  -0.021173
     2  C    0.255644   0.245521  -0.099897   0.056177   0.360111  -0.104704
     3  C    0.039014  -2.693025  -0.482764   0.279557  -0.271435   0.180247
     4  C    0.272343   0.413144  -0.012697   0.325349  -0.143500  -0.022787
     5  C   -0.020399   0.122883   0.209780  -0.091963   0.087952   0.009475
     6  C    0.006247   0.001346  -0.018322   0.017648  -0.013862   0.004952
     7  O   -0.000052   0.000660   0.002231  -0.000332  -0.005758   0.000593
     8  C    0.005229   0.036591  -0.077503   0.043456  -0.058211   0.174077
     9  C   -0.403988   0.044482   0.239477  -0.086817  -0.117769   0.002152
    10  C   -0.111335   0.517453  -0.141443  -0.643531   0.180586  -0.056951
    11  C    0.000818   0.027015   0.000594  -0.001058  -0.001927   0.000746
    12  H   -0.761681   0.038329   0.181261  -0.254886   0.026089   0.014191
    13  H    2.756223  -0.036165  -0.272036   0.192732  -0.083389  -0.017497
    14  H   -0.036165   3.503464   0.176454  -0.216421   0.010965  -0.003510
    15  H   -0.272036   0.176454   2.478543  -0.672278   0.010908   0.005796
    16  H    0.192732  -0.216421  -0.672278   2.526561  -0.001354  -0.004271
    17  H   -0.083389   0.010965   0.010908  -0.001354   1.860120  -0.467386
    18  H   -0.017497  -0.003510   0.005796  -0.004271  -0.467386   1.796899
    19  H    0.006757   0.004982  -0.001162  -0.000664  -0.351698  -0.344400
    20  H    0.016172  -0.055016  -0.005669  -0.005743  -0.034178   0.021957
    21  H   -0.010893  -0.024260   0.001278   0.002046   0.013348   0.028361
    22  H    0.024010   0.014588  -0.004726   0.011468   0.015026  -0.044725
    23  H   -0.081729   0.043193   0.003860   0.023242   0.084519  -0.002921
    24  H   -0.008553  -0.173209   0.012780  -0.001778   0.016823  -0.000248
    25  H    0.000471   0.004663  -0.000566   0.000059  -0.001350   0.000318
    26  H    0.000429   0.004230  -0.000250  -0.000324  -0.000957  -0.000046
    27  H   -0.000418  -0.001035   0.000488   0.000069   0.001374   0.000006
              19         20         21         22         23         24
     1  C    0.348197  -0.054827   0.020150   0.038826   0.049960   0.016896
     2  C   -0.016361   0.684579  -0.108601  -0.025215  -0.196984   0.013113
     3  C   -0.132268  -0.177627  -0.004087  -0.036946   0.713900  -0.129200
     4  C    0.116628   0.018958   0.055572   0.037274  -2.449745   0.548071
     5  C   -0.029823  -0.035179   0.003901  -0.001997   0.145518  -1.953295
     6  C   -0.003840  -0.003593   0.004867   0.002502   0.080300   0.419654
     7  O    0.000941   0.000260  -0.000229  -0.000116  -0.052630  -0.065724
     8  C   -0.081222  -0.037396   0.227906   0.123278   0.071775   0.000804
     9  C    0.010706  -0.099025  -0.006662   0.044842  -0.045745   0.016746
    10  C   -0.015294  -0.059415   0.009286   0.015133  -0.210105   0.025854
    11  C   -0.001923  -0.000314   0.000949   0.000163   0.015776  -0.322827
    12  H    0.002692  -0.039081   0.018589  -0.037558   0.018774   0.003627
    13  H    0.006757   0.016172  -0.010893   0.024010  -0.081729  -0.008553
    14  H    0.004982  -0.055016  -0.024260   0.014588   0.043193  -0.173209
    15  H   -0.001162  -0.005669   0.001278  -0.004726   0.003860   0.012780
    16  H   -0.000664  -0.005743   0.002046   0.011468   0.023242  -0.001778
    17  H   -0.351698  -0.034178   0.013348   0.015026   0.084519   0.016823
    18  H   -0.344400   0.021957   0.028361  -0.044725  -0.002921  -0.000248
    19  H    1.599973   0.012609  -0.044448   0.014250  -0.010746  -0.009855
    20  H    0.012609   1.923271  -0.409223  -0.430072  -0.003013  -0.003087
    21  H   -0.044448  -0.409223   1.744022  -0.383213   0.009239   0.011350
    22  H    0.014250  -0.430072  -0.383213   1.795419   0.002777  -0.000141
    23  H   -0.010746  -0.003013   0.009239   0.002777   3.589960   0.202273
    24  H   -0.009855  -0.003087   0.011350  -0.000141   0.202273   3.525877
    25  H   -0.000077   0.000024  -0.000410  -0.000022  -0.005856  -0.073104
    26  H    0.000230   0.000018  -0.000046   0.000027  -0.006744  -0.071660
    27  H   -0.000076  -0.000072   0.000138   0.000008   0.006330   0.027722
              25         26         27
     1  C    0.000092  -0.001242   0.000474
     2  C   -0.001982  -0.000786  -0.001055
     3  C   -0.012977  -0.017229   0.015046
     4  C    0.029201   0.023260  -0.058042
     5  C   -0.078699  -0.069188   0.246014
     6  C    0.005813  -0.006834  -0.018887
     7  O    0.018158   0.018860  -0.009305
     8  C   -0.000249   0.000174   0.000132
     9  C   -0.000019   0.000764   0.000143
    10  C   -0.001091  -0.003855  -0.000338
    11  C    0.391267   0.409366   0.055061
    12  H   -0.000118  -0.000060   0.000053
    13  H    0.000471   0.000429  -0.000418
    14  H    0.004663   0.004230  -0.001035
    15  H   -0.000566  -0.000250   0.000488
    16  H    0.000059  -0.000324   0.000069
    17  H   -0.001350  -0.000957   0.001374
    18  H    0.000318  -0.000046   0.000006
    19  H   -0.000077   0.000230  -0.000076
    20  H    0.000024   0.000018  -0.000072
    21  H   -0.000410  -0.000046   0.000138
    22  H   -0.000022   0.000027   0.000008
    23  H   -0.005856  -0.006744   0.006330
    24  H   -0.073104  -0.071660   0.027722
    25  H    1.061519  -0.133806  -0.184339
    26  H   -0.133806   1.054591  -0.186998
    27  H   -0.184339  -0.186998   1.305502
 Mulliken charges:
               1
     1  C    1.010658
     2  C   -1.622865
     3  C    1.412879
     4  C    1.069955
     5  C    1.191286
     6  C   -0.124185
     7  O   -0.613038
     8  C    0.920087
     9  C    1.486954
    10  C    0.921567
    11  C    0.524780
    12  H   -0.514196
    13  H   -0.506425
    14  H   -0.826471
    15  H   -0.554353
    16  H   -0.511571
    17  H   -0.231762
    18  H   -0.149151
    19  H   -0.074107
    20  H   -0.225319
    21  H   -0.158932
    22  H   -0.174859
    23  H   -0.995180
    24  H   -1.028910
    25  H   -0.016921
    26  H   -0.011925
    27  H   -0.197995
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.555639
     2  C   -1.622865
     3  C    0.586408
     4  C    0.074775
     5  C    0.162376
     6  C   -0.124185
     7  O   -0.613038
     8  C    0.360977
     9  C    0.466332
    10  C   -0.144357
    11  C    0.297939
 Electronic spatial extent (au):  <R**2>=           2494.3157
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.7271    Y=             -0.7270    Z=             -2.5896  Tot=              3.1965
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.8129   YY=            -69.0379   ZZ=            -70.9107
   XY=              3.1805   XZ=              8.4576   YZ=             -0.3663
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7743   YY=              0.5492   ZZ=             -1.3235
   XY=              3.1805   XZ=              8.4576   YZ=             -0.3663
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -10.7034  YYY=              0.1249  ZZZ=             -2.9019  XYY=             -3.6409
  XXY=             -9.4467  XXZ=            -26.1777  XZZ=              6.3483  YZZ=             -0.6044
  YYZ=              0.6088  XYZ=              0.8251
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2499.9969 YYYY=           -462.1990 ZZZZ=           -372.5482 XXXY=             28.0324
 XXXZ=             74.4055 YYYX=              1.2993 YYYZ=              6.2452 ZZZX=              8.3010
 ZZZY=              0.4162 XXYY=           -504.3939 XXZZ=           -521.3745 YYZZ=           -139.2050
 XXYZ=            -18.5020 YYXZ=             -1.8664 ZZXY=              5.4750
 N-N= 6.093199872037D+02 E-N=-2.300170595914D+03  KE= 4.628699904189D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:43:58 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.5826   -1.5817        2.7517    2.7526
 2      1.5826    1.5817       -1.4974   -1.4991      -31.2521  -31.2425
 3     -2.7517   -2.7526       29.3814   29.3713        1.4994    1.4991
 4      1.4974    1.4991        0.0000    0.0000       -2.7565   -2.7526
 5      1.8708    1.8712        2.7565    2.7526       -1.5811   -1.5817
 6     -1.4994   -1.4991        1.5811    1.5817       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.7452    4.7452        8.2579    8.2579
 2      4.4973    4.4973        0.0000    0.0000        8.2579    8.2579
 3      4.4973    4.4973        4.7452    4.7452        0.0000    0.0000
 4      4.7452    4.7452       -4.4973   -4.4973      -93.7274  -93.7274
 5     -8.2579   -8.2579       88.1139   88.1139        4.4973    4.4973
 6      5.6135    5.6135        8.2579    8.2579       -4.7452   -4.7452
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1444    0.0000        6.7679    6.3269      -10.6068  -11.0106
 2     -5.8448   -6.3269        5.9930    5.9964      125.3130  124.9699
 3     10.9989   11.0106     -117.4307 -117.4852       -5.9980   -5.9964
 4     -5.7634   -5.9964       -0.3661    0.0000       11.0930   11.0106
 5     -7.4339   -7.4847      -10.8267  -11.0106        6.3948    6.3269
 6      6.0861    5.9964       -6.5626   -6.3269       -0.0806    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2238    0.0000       29.8968   29.7906      -24.4889  -24.1414
 2    -29.7064  -29.7906      -36.3858  -36.4915        3.9092    3.3380
 3     23.6914   24.1414       44.9153   44.6528       36.6786   36.4915
 4     36.3738   36.4915        0.0737    0.0000       24.4512   24.1414
 5    -48.1985  -47.9908      -23.8171  -24.1414       29.7397   29.7906
 6    -36.2311  -36.4915      -30.0986  -29.7906       -0.0068    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     58.3388   58.4298       26.8186   26.8717      -13.9350  -13.8444
 2     89.0551   89.1313       49.7595   49.3636      -13.5748  -13.8444
 3     88.8394   89.1313       27.3340   26.8717      -10.6908  -11.0395
 4    -22.4185  -22.4920      -30.7565  -30.7014       23.1895   23.0944
 5      2.4000    2.8050       38.8411   38.5743       30.8743   30.7014
 6    -62.2473  -61.6687       -1.6589   -2.8050       22.6862   22.4920
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.7369                 0.7014                 0.6155
  Dep-P Fr= 1--      0.7336                 0.7441                 0.5297
  Dep-U Fr= 1--      0.8463                 0.8533                 0.6926
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0026
 Beta2  Fr= 1--      0.2450                 0.0998                 0.0710
 AlphaG Fr= 1--     -0.0033                 0.0012                 0.0154
 Gamma2 Fr= 1--     -0.1402                 0.0446                 0.5914
 Delta2 Fr= 1--      0.0475                 0.0233                 0.1446
 Raman1 Fr= 1--       6.948                  2.806                  2.462
 ROA1   Fr= 1--     -11.942                  5.023                 61.400
 CID1   Fr= 1--      -1.719                  1.790                 24.941
 Raman2 Fr= 1--       2.940                  1.197                  0.852
 ROA2   Fr= 1--      -3.745                  0.883                 13.036
 CID2   Fr= 1--      -1.274                  0.738                 15.292
 Raman3 Fr= 1--       5.880                  2.394                  1.705
 ROA3   Fr= 1--     -11.942                  5.023                 61.400
 CID3   Fr= 1--      -2.031                  2.098                 36.012
 RC180  Fr= 1--       0.693                  0.707                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4331                 1.2885                 0.5939
  Dep-P Fr= 1--      0.7310                 0.7469                 0.6008
  Dep-U Fr= 1--      0.8446                 0.8551                 0.7507
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0016
 Beta2  Fr= 1--      0.0610                 0.1836                 0.0743
 AlphaG Fr= 1--     -0.0009                -0.0006                -0.0054
 Gamma2 Fr= 1--     -0.0736                 0.1815                -0.1616
 Delta2 Fr= 1--      0.0508                 0.2761                -0.0196
 Raman1 Fr= 1--       1.732                  5.154                  2.376
 ROA1   Fr= 1--      -5.437                 26.260                -16.144
 CID1   Fr= 1--      -3.138                  5.095                 -6.796
 Raman2 Fr= 1--       0.732                  2.204                  0.892
 ROA2   Fr= 1--      -2.172                  2.147                 -3.722
 CID2   Fr= 1--      -2.969                  0.974                 -4.174
 Raman3 Fr= 1--       1.463                  4.408                  1.783
 ROA3   Fr= 1--      -5.437                 26.260                -16.144
 CID3   Fr= 1--      -3.716                  5.958                 -9.053
 RC180  Fr= 1--       0.689                  0.710                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.1940                 0.3709                 5.9346
  Dep-P Fr= 1--      0.3528                 0.5175                 0.2326
  Dep-U Fr= 1--      0.5215                 0.6821                 0.3774
 Alpha2 Fr= 1--      0.0017                 0.0017                 0.0738
 Beta2  Fr= 1--      0.0169                 0.0422                 0.3733
 AlphaG Fr= 1--     -0.0016                 0.0012                -0.0093
 Gamma2 Fr= 1--      0.3817                 0.1841                -0.0254
 Delta2 Fr= 1--     -0.0436                 0.0896                -0.0004
 Raman1 Fr= 1--       0.776                  1.483                 23.738
 ROA1   Fr= 1--      35.249                 20.538                 -2.449
 CID1   Fr= 1--      45.430                 13.845                 -0.103
 Raman2 Fr= 1--       0.202                  0.506                  4.480
 ROA2   Fr= 1--       9.511                  3.701                 -0.606
 CID2   Fr= 1--      47.005                  7.316                 -0.135
 Raman3 Fr= 1--       0.405                  1.012                  8.959
 ROA3   Fr= 1--      35.249                 20.538                 -2.449
 CID3   Fr= 1--      87.108                 20.300                 -0.273
 RC180  Fr= 1--       0.043                  0.364                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.6877                 1.0289                 1.3667
  Dep-P Fr= 1--      0.2100                 0.2100                 0.6812
  Dep-U Fr= 1--      0.3472                 0.3472                 0.8104
 Alpha2 Fr= 1--      0.0091                 0.0136                 0.0017
 Beta2  Fr= 1--      0.0398                 0.0595                 0.1846
 AlphaG Fr= 1--     -0.0032                -0.0029                 0.0106
 Gamma2 Fr= 1--     -0.0271                -0.9228                -0.4521
 Delta2 Fr= 1--     -0.0488                -0.1257                -0.2717
 Raman1 Fr= 1--       2.751                  4.116                  5.467
 ROA1   Fr= 1--      -4.166                -92.607                -52.094
 CID1   Fr= 1--      -1.515                -22.502                 -9.529
 Raman2 Fr= 1--       0.477                  0.714                  2.215
 ROA2   Fr= 1--      -0.260                -21.141                 -8.677
 CID2   Fr= 1--      -0.545                -29.594                 -3.917
 Raman3 Fr= 1--       0.955                  1.429                  4.430
 ROA3   Fr= 1--      -4.166                -92.607                -52.094
 CID3   Fr= 1--      -4.363                -64.819                -11.759
 RC180  Fr= 1--      -0.306                 -0.306                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.7554                 1.7967                 0.3956
  Dep-P Fr= 1--      0.5087                 0.1177                 0.7373
  Dep-U Fr= 1--      0.6744                 0.2105                 0.8488
 Alpha2 Fr= 1--      0.0036                 0.0301                 0.0001
 Beta2  Fr= 1--      0.0849                 0.0630                 0.0560
 AlphaG Fr= 1--      0.0046                -0.0237                 0.0048
 Gamma2 Fr= 1--      0.2721                 0.5820                 0.4227
 Delta2 Fr= 1--      0.0202                 0.1522                 0.0960
 Raman1 Fr= 1--       3.022                  7.187                  1.582
 ROA1   Fr= 1--      26.769                 60.742                 43.653
 CID1   Fr= 1--       8.859                  8.452                 27.589
 Raman2 Fr= 1--       1.019                  0.757                  0.671
 ROA2   Fr= 1--       6.369                 12.750                  9.377
 CID2   Fr= 1--       6.251                 16.852                 13.965
 Raman3 Fr= 1--       2.038                  1.513                  1.343
 ROA3   Fr= 1--      26.769                 60.742                 43.653
 CID3   Fr= 1--      13.137                 40.143                 32.504
 RC180  Fr= 1--       0.349                 -0.579                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.0525                 2.4315                 9.9051
  Dep-P Fr= 1--      0.4475                 0.0306                 0.1270
  Dep-U Fr= 1--      0.6183                 0.0594                 0.2253
 Alpha2 Fr= 1--      0.0065                 0.0503                 0.1623
 Beta2  Fr= 1--      0.1085                 0.0241                 0.3720
 AlphaG Fr= 1--     -0.0120                -0.1231                 0.0746
 Gamma2 Fr= 1--     -0.4240                -0.1384                 0.5764
 Delta2 Fr= 1--     -0.2493                -0.1830                -0.4211
 Raman1 Fr= 1--       4.210                  9.726                 39.620
 ROA1   Fr= 1--     -48.685                -19.139                 41.856
 CID1   Fr= 1--     -11.564                 -1.968                  1.056
 Raman2 Fr= 1--       1.302                  0.289                  4.464
 ROA2   Fr= 1--      -8.182                 -1.856                 17.202
 CID2   Fr= 1--      -6.287                 -6.422                  3.854
 Raman3 Fr= 1--       2.603                  0.578                  8.927
 ROA3   Fr= 1--     -48.685                -19.139                 41.856
 CID3   Fr= 1--     -18.703                -33.107                  4.689
 RC180  Fr= 1--       0.237                 -0.881                 -0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      4.9100                 7.6925                24.2799
  Dep-P Fr= 1--      0.1561                 0.1117                 0.4471
  Dep-U Fr= 1--      0.2701                 0.2009                 0.6179
 Alpha2 Fr= 1--      0.0747                 0.1309                 0.1506
 Beta2  Fr= 1--      0.2210                 0.2576                 2.5005
 AlphaG Fr= 1--      0.1276                 0.1593                 0.1919
 Gamma2 Fr= 1--     -0.3905                 0.6494                -2.8835
 Delta2 Fr= 1--      0.7800                 0.7940                 0.2236
 Raman1 Fr= 1--      19.640                 30.770                 97.120
 ROA1   Fr= 1--     -12.529                 87.753               -269.662
 CID1   Fr= 1--      -0.638                  2.852                 -2.777
 Raman2 Fr= 1--       2.652                  3.092                 30.006
 ROA2   Fr= 1--     -15.613                  9.235                -70.994
 CID2   Fr= 1--      -5.886                  2.987                 -2.366
 Raman3 Fr= 1--       5.305                  6.183                 60.012
 ROA3   Fr= 1--     -12.529                 87.753               -269.662
 CID3   Fr= 1--      -2.362                 14.192                 -4.493
 RC180  Fr= 1--      -0.460                 -0.598                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      4.8863                16.5534                 4.7032
  Dep-P Fr= 1--      0.4941                 0.5963                 0.4474
  Dep-U Fr= 1--      0.6614                 0.7471                 0.6182
 Alpha2 Fr= 1--      0.0248                 0.0472                 0.0291
 Beta2  Fr= 1--      0.5386                 2.0612                 0.4846
 AlphaG Fr= 1--     -0.0510                 0.2548                 0.2060
 Gamma2 Fr= 1--      3.4025                 4.9338                 3.1133
 Delta2 Fr= 1--     -0.6965                -0.5508                 0.6667
 Raman1 Fr= 1--      19.545                 66.214                 18.813
 ROA1   Fr= 1--     304.348                456.014                320.210
 CID1   Fr= 1--      15.572                  6.887                 17.021
 Raman2 Fr= 1--       6.464                 24.734                  5.815
 ROA2   Fr= 1--      87.232                122.817                 69.386
 CID2   Fr= 1--      13.496                  4.965                 11.932
 Raman3 Fr= 1--      12.927                 49.469                 11.630
 ROA3   Fr= 1--     304.348                456.014                320.210
 CID3   Fr= 1--      23.543                  9.218                 27.532
 RC180  Fr= 1--       0.323                  0.494                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      9.4411                15.6579                 9.7757
  Dep-P Fr= 1--      0.6994                 0.3299                 0.6267
  Dep-U Fr= 1--      0.8231                 0.4962                 0.7705
 Alpha2 Fr= 1--      0.0083                 0.1465                 0.0220
 Beta2  Fr= 1--      1.2952                 1.2948                 1.2554
 AlphaG Fr= 1--      0.1891                 0.2673                 0.0074
 Gamma2 Fr= 1--     -1.4112                -1.9855                 0.3653
 Delta2 Fr= 1--     -0.5072                -0.6822                -0.3485
 Raman1 Fr= 1--      37.764                 62.631                 39.103
 ROA1   Fr= 1--    -151.707               -212.440                 23.921
 CID1   Fr= 1--      -4.017                 -3.392                  0.612
 Raman2 Fr= 1--      15.543                 15.538                 15.064
 ROA2   Fr= 1--     -29.812                -42.194                 11.557
 CID2   Fr= 1--      -1.918                 -2.716                  0.767
 Raman3 Fr= 1--      31.086                 31.076                 30.128
 ROA3   Fr= 1--    -151.707               -212.440                 23.921
 CID3   Fr= 1--      -4.880                 -6.836                  0.794
 RC180  Fr= 1--       0.646                 -0.008                  0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     29.7552                 2.8747                19.0509
  Dep-P Fr= 1--      0.2330                 0.5424                 0.0898
  Dep-U Fr= 1--      0.3780                 0.7033                 0.1648
 Alpha2 Fr= 1--      0.3696                 0.0115                 0.3420
 Beta2  Fr= 1--      1.8745                 0.3370                 0.5232
 AlphaG Fr= 1--     -0.5346                 0.0641                -0.0774
 Gamma2 Fr= 1--     -5.4187                -1.3533                 0.8310
 Delta2 Fr= 1--     -2.7552                -0.4724                 0.9094
 Raman1 Fr= 1--     119.021                 11.499                 76.203
 ROA1   Fr= 1--    -608.356               -145.030                108.881
 CID1   Fr= 1--      -5.111                -12.613                  1.429
 Raman2 Fr= 1--      22.494                  4.044                  6.278
 ROA2   Fr= 1--    -108.006                -28.699                 12.669
 CID2   Fr= 1--      -4.802                 -7.097                  2.018
 Raman3 Fr= 1--      44.988                  8.087                 12.556
 ROA3   Fr= 1--    -608.356               -145.030                108.881
 CID3   Fr= 1--     -13.523                -17.933                  8.671
 RC180  Fr= 1--      -0.244                  0.407                 -0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      5.0094                 9.9738                28.6000
  Dep-P Fr= 1--      0.1467                 0.3252                 0.2180
  Dep-U Fr= 1--      0.2559                 0.4908                 0.3580
 Alpha2 Fr= 1--      0.0781                 0.0947                 0.3701
 Beta2  Fr= 1--      0.2136                 0.8158                 1.7064
 AlphaG Fr= 1--     -0.8313                 0.1653                 0.0215
 Gamma2 Fr= 1--     -3.6378                 0.9868                -0.8108
 Delta2 Fr= 1--     -0.2026                 0.3010                 2.9136
 Raman1 Fr= 1--      20.038                 39.895                114.400
 ROA1   Fr= 1--    -355.713                104.364                 15.396
 CID1   Fr= 1--     -17.752                  2.616                  0.135
 Raman2 Fr= 1--       2.564                  9.790                 20.477
 ROA2   Fr= 1--     -85.686                 21.275                -42.769
 CID2   Fr= 1--     -33.424                  2.173                 -2.089
 Raman3 Fr= 1--       5.127                 19.580                 40.954
 ROA3   Fr= 1--    -355.713                104.364                 15.396
 CID3   Fr= 1--     -69.377                  5.330                  0.376
 RC180  Fr= 1--      -0.488                 -0.018                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      5.6419                57.8231                11.6868
  Dep-P Fr= 1--      0.7448                 0.4180                 0.6599
  Dep-U Fr= 1--      0.8537                 0.5895                 0.7951
 Alpha2 Fr= 1--      0.0005                 0.4012                 0.0188
 Beta2  Fr= 1--      0.8028                 5.6813                 1.5487
 AlphaG Fr= 1--     -0.0661                 0.8544                -0.0669
 Gamma2 Fr= 1--      0.5226                 4.7177                -0.2686
 Delta2 Fr= 1--     -0.2181                -0.3763                 0.8213
 Raman1 Fr= 1--      22.568                231.292                 46.747
 ROA1   Fr= 1--      43.189                440.860                  0.499
 CID1   Fr= 1--       1.914                  1.906                  0.011
 Raman2 Fr= 1--       9.633                 68.176                 18.584
 ROA2   Fr= 1--      14.287                116.236                -13.016
 CID2   Fr= 1--       1.483                  1.705                 -0.700
 Raman3 Fr= 1--      19.267                136.351                 37.168
 ROA3   Fr= 1--      43.189                440.860                  0.499
 CID3   Fr= 1--       2.242                  3.233                  0.013
 RC180  Fr= 1--       0.707                  0.179                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--      9.4630                 4.3271                46.6413
  Dep-P Fr= 1--      0.2923                 0.5887                 0.4190
  Dep-U Fr= 1--      0.4524                 0.7411                 0.5905
 Alpha2 Fr= 1--      0.0993                 0.0130                 0.3224
 Beta2  Fr= 1--      0.7135                 0.5344                 4.5906
 AlphaG Fr= 1--      0.1082                -0.0397                 0.1710
 Gamma2 Fr= 1--      1.2573                 3.7708                 0.7157
 Delta2 Fr= 1--     -0.8439                 1.2782                 1.1208
 Raman1 Fr= 1--      37.852                 17.308                186.565
 ROA1   Fr= 1--      93.699                402.894                104.567
 CID1   Fr= 1--       2.475                 23.278                  0.560
 Raman2 Fr= 1--       8.561                  6.413                 55.087
 ROA2   Fr= 1--      36.927                 80.273                  8.210
 CID2   Fr= 1--       4.313                 12.517                  0.149
 Raman3 Fr= 1--      17.123                 12.827                110.175
 ROA3   Fr= 1--      93.699                402.894                104.567
 CID3   Fr= 1--       5.472                 31.411                  0.949
 RC180  Fr= 1--      -0.095                  0.482                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      3.0458                17.0545                11.9626
  Dep-P Fr= 1--      0.3513                 0.3068                 0.3121
  Dep-U Fr= 1--      0.5200                 0.4696                 0.4758
 Alpha2 Fr= 1--      0.0266                 0.1714                 0.1183
 Beta2  Fr= 1--      0.2640                 1.3348                 0.9486
 AlphaG Fr= 1--      0.0700                -0.0025                 0.0960
 Gamma2 Fr= 1--      0.3827                 0.2800                 2.3655
 Delta2 Fr= 1--     -0.0983                -1.2436                 1.2144
 Raman1 Fr= 1--      12.183                 68.218                 47.851
 ROA1   Fr= 1--      33.592                -12.916                265.949
 CID1   Fr= 1--       2.757                 -0.189                  5.558
 Raman2 Fr= 1--       3.168                 16.018                 11.383
 ROA2   Fr= 1--       9.970                 16.668                 47.057
 CID2   Fr= 1--       3.148                  1.041                  4.134
 Raman3 Fr= 1--       6.335                 32.035                 22.767
 ROA3   Fr= 1--      33.592                -12.916                265.949
 CID3   Fr= 1--       5.302                 -0.403                 11.682
 RC180  Fr= 1--       0.040                 -0.061                 -0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--      7.9630                 2.3214                37.2207
  Dep-P Fr= 1--      0.3968                 0.5257                 0.2800
  Dep-U Fr= 1--      0.5681                 0.6891                 0.4375
 Alpha2 Fr= 1--      0.0597                 0.0101                 0.4049
 Beta2  Fr= 1--      0.7540                 0.2666                 2.7142
 AlphaG Fr= 1--      0.0733                 0.0038                -0.0366
 Gamma2 Fr= 1--     -3.2445                 0.0587                -0.3307
 Delta2 Fr= 1--     -4.0754                -0.2765                 0.3869
 Raman1 Fr= 1--      31.852                  9.285                148.883
 ROA1   Fr= 1--    -441.886                 -3.209                -19.365
 CID1   Fr= 1--     -13.873                 -0.346                 -0.130
 Raman2 Fr= 1--       9.048                  3.199                 32.570
 ROA2   Fr= 1--     -45.264                  3.621                -11.031
 CID2   Fr= 1--      -5.003                  1.132                 -0.339
 Raman3 Fr= 1--      18.095                  6.398                 65.140
 ROA3   Fr= 1--    -441.886                 -3.209                -19.365
 CID3   Fr= 1--     -24.420                 -0.502                 -0.297
 RC180  Fr= 1--       0.136                  0.378                 -0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      2.1269                 4.1580                 0.6146
  Dep-P Fr= 1--      0.5975                 0.1942                 0.4517
  Dep-U Fr= 1--      0.7481                 0.3253                 0.6223
 Alpha2 Fr= 1--      0.0060                 0.0573                 0.0037
 Beta2  Fr= 1--      0.2652                 0.2254                 0.0637
 AlphaG Fr= 1--      0.0141                 0.0375                -0.0104
 Gamma2 Fr= 1--      0.1301                 0.5216                -0.3787
 Delta2 Fr= 1--      0.1498                 0.0062                -0.0645
 Raman1 Fr= 1--       8.508                 16.632                  2.458
 ROA1   Fr= 1--      17.279                 50.268                -38.417
 CID1   Fr= 1--       2.031                  3.022                -15.628
 Raman2 Fr= 1--       3.182                  2.705                  0.765
 ROA2   Fr= 1--       1.923                 12.468                 -8.573
 CID2   Fr= 1--       0.604                  4.609                -11.208
 Raman3 Fr= 1--       6.364                  5.410                  1.530
 ROA3   Fr= 1--      17.279                 50.268                -38.417
 CID3   Fr= 1--       2.715                  9.291                -25.115
 RC180  Fr= 1--       0.496                 -0.349                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      0.9597                 7.7884                 4.8017
  Dep-P Fr= 1--      0.6871                 0.3547                 0.7495
  Dep-U Fr= 1--      0.8145                 0.5237                 0.8568
 Alpha2 Fr= 1--      0.0011                 0.0673                 0.0000
 Beta2  Fr= 1--      0.1303                 0.6798                 0.6857
 AlphaG Fr= 1--      0.0003                 0.0172                 0.0015
 Gamma2 Fr= 1--     -0.0357                 0.2734                -0.0232
 Delta2 Fr= 1--     -0.0761                 0.0756                 0.0723
 Raman1 Fr= 1--       3.839                 31.154                 19.207
 ROA1   Fr= 1--      -5.861                 28.663                  0.082
 CID1   Fr= 1--      -1.527                  0.920                  0.004
 Raman2 Fr= 1--       1.563                  8.158                  8.228
 ROA2   Fr= 1--      -0.248                  5.956                 -1.136
 CID2   Fr= 1--      -0.158                  0.730                 -0.138
 Raman3 Fr= 1--       3.127                 16.315                 16.456
 ROA3   Fr= 1--      -5.861                 28.663                  0.082
 CID3   Fr= 1--      -1.874                  1.757                  0.005
 RC180  Fr= 1--       0.629                  0.047                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      5.3665                 7.4014                 5.8034
  Dep-P Fr= 1--      0.6997                 0.7405                 0.7415
  Dep-U Fr= 1--      0.8233                 0.8509                 0.8515
 Alpha2 Fr= 1--      0.0047                 0.0012                 0.0008
 Beta2  Fr= 1--      0.7364                 1.0497                 0.8236
 AlphaG Fr= 1--     -0.0242                 0.0027                 0.0053
 Gamma2 Fr= 1--     -1.3518                 0.0786                 1.7310
 Delta2 Fr= 1--     -0.3614                 0.2641                 0.8056
 Raman1 Fr= 1--      21.466                 29.605                 23.214
 ROA1   Fr= 1--    -141.338                 15.996                191.956
 CID1   Fr= 1--      -6.584                  0.540                  8.269
 Raman2 Fr= 1--       8.836                 12.596                  9.884
 ROA2   Fr= 1--     -29.552                 -0.226                 35.100
 CID2   Fr= 1--      -3.344                 -0.018                  3.551
 Raman3 Fr= 1--      17.673                 25.192                 19.767
 ROA3   Fr= 1--    -141.338                 15.996                191.956
 CID3   Fr= 1--      -7.997                  0.635                  9.711
 RC180  Fr= 1--       0.647                  0.702                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--      9.2301                 5.8048                 0.2561
  Dep-P Fr= 1--      0.5664                 0.6748                 0.5325
  Dep-U Fr= 1--      0.7232                 0.8058                 0.6950
 Alpha2 Fr= 1--      0.0321                 0.0077                 0.0011
 Beta2  Fr= 1--      1.1125                 0.7796                 0.0297
 AlphaG Fr= 1--      0.0074                -0.0263                -0.0013
 Gamma2 Fr= 1--     -0.6684                -0.7417                -0.2903
 Delta2 Fr= 1--      0.1592                 1.1420                 0.0520
 Raman1 Fr= 1--      36.920                 23.219                  1.024
 ROA1   Fr= 1--     -59.069                -34.662                -26.202
 CID1   Fr= 1--      -1.600                 -1.493                -25.580
 Raman2 Fr= 1--      13.350                  9.356                  0.356
 ROA2   Fr= 1--     -17.314                -26.938                 -7.383
 CID2   Fr= 1--      -1.297                 -2.879                -20.743
 Raman3 Fr= 1--      26.699                 18.711                  0.712
 ROA3   Fr= 1--     -59.069                -34.662                -26.202
 CID3   Fr= 1--      -2.212                 -1.852                -36.807
 RC180  Fr= 1--       0.446                  0.612                  0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    717.2116                27.8062                41.5327
  Dep-P Fr= 1--      0.2690                 0.7212                 0.0747
  Dep-U Fr= 1--      0.4239                 0.8380                 0.1390
 Alpha2 Fr= 1--      8.0550                 0.0138                 0.7733
 Beta2  Fr= 1--     50.6764                 3.8836                 0.9618
 AlphaG Fr= 1--     -1.7997                 0.0505                 0.1043
 Gamma2 Fr= 1--    -22.4963                 0.9391                -2.1714
 Delta2 Fr= 1--      2.8661                 0.1022                -1.5761
 Raman1 Fr= 1--    2868.846                111.225                166.131
 ROA1   Fr= 1--   -2067.933                 93.427               -258.887
 CID1   Fr= 1--      -0.721                  0.840                 -1.558
 Raman2 Fr= 1--     608.116                 46.603                 11.542
 ROA2   Fr= 1--    -562.841                 21.722                -39.505
 CID2   Fr= 1--      -0.926                  0.466                 -3.423
 Raman3 Fr= 1--    1216.233                 93.207                 23.084
 ROA3   Fr= 1--   -2067.933                 93.427               -258.887
 CID3   Fr= 1--      -1.700                  1.002                -11.215
 RC180  Fr= 1--      -0.152                  0.676                 -0.722
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    259.5011               214.9737               115.8591
  Dep-P Fr= 1--      0.0278                 0.0166                 0.1234
  Dep-U Fr= 1--      0.0542                 0.0327                 0.2197
 Alpha2 Fr= 1--      5.4024                 4.5949                 1.9147
 Beta2  Fr= 1--      2.3420                 1.1721                 4.2422
 AlphaG Fr= 1--     -1.5203                 0.3452                -0.0458
 Gamma2 Fr= 1--      3.1918                 0.4916                -1.4729
 Delta2 Fr= 1--     -1.2212                -1.6089                -3.4621
 Raman1 Fr= 1--    1038.004                859.895                463.437
 ROA1   Fr= 1--     267.340                 -4.293               -252.189
 CID1   Fr= 1--       0.258                 -0.005                 -0.544
 Raman2 Fr= 1--      28.104                 14.066                 50.907
 ROA2   Fr= 1--      86.374                 24.670                 -7.654
 CID2   Fr= 1--       3.073                  1.754                 -0.150
 Raman3 Fr= 1--      56.208                 28.131                101.814
 ROA3   Fr= 1--     267.340                 -4.293               -252.189
 CID3   Fr= 1--       4.756                 -0.153                 -2.477
 RC180  Fr= 1--      -0.892                 -0.935                 -0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     77.2118               224.3767                11.6152
  Dep-P Fr= 1--      0.2498                 0.0269                 0.6560
  Dep-U Fr= 1--      0.3998                 0.0523                 0.7923
 Alpha2 Fr= 1--      0.9155                 4.6817                 0.0195
 Beta2  Fr= 1--      5.1446                 1.9570                 1.5337
 AlphaG Fr= 1--     -0.4934                 1.2020                 0.0495
 Gamma2 Fr= 1--      8.4085                -5.0588                 3.4278
 Delta2 Fr= 1--     -2.9102                -7.0093                 0.9645
 Raman1 Fr= 1--     308.847                897.507                 46.461
 ROA1   Fr= 1--     714.088               -709.944                359.937
 CID1   Fr= 1--       2.312                 -0.791                  7.747
 Raman2 Fr= 1--      61.736                 23.484                 18.405
 ROA2   Fr= 1--     225.085                -65.337                 74.552
 CID2   Fr= 1--       3.646                 -2.782                  4.051
 Raman3 Fr= 1--     123.472                 46.967                 36.809
 ROA3   Fr= 1--     714.088               -709.944                359.937
 CID3   Fr= 1--       5.783                -15.116                  9.778
 RC180  Fr= 1--      -0.200                 -0.895                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     57.9857               143.9063                57.7583
  Dep-P Fr= 1--      0.7487                 0.7295                 0.7313
  Dep-U Fr= 1--      0.8563                 0.8436                 0.8448
 Alpha2 Fr= 1--      0.0013                 0.0504                 0.0185
 Beta2  Fr= 1--      8.2751                20.2339                 8.1321
 AlphaG Fr= 1--     -0.0208                 0.1465                -0.0571
 Gamma2 Fr= 1--     -1.4568                -2.7415                 4.9822
 Delta2 Fr= 1--      0.8190                10.6054                -3.6824
 Raman1 Fr= 1--     231.943                575.625                231.033
 ROA1   Fr= 1--    -113.651                 76.184                360.455
 CID1   Fr= 1--      -0.490                  0.132                  1.560
 Raman2 Fr= 1--      99.302                242.807                 97.585
 ROA2   Fr= 1--     -41.516               -150.640                149.032
 CID2   Fr= 1--      -0.418                 -0.620                  1.527
 Raman3 Fr= 1--     198.603                485.613                195.171
 ROA3   Fr= 1--    -113.651                 76.184                360.455
 CID3   Fr= 1--      -0.572                  0.157                  1.847
 RC180  Fr= 1--       0.713                  0.687                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     67.5756                49.9181                94.0254
  Dep-P Fr= 1--      0.6468                 0.7462                 0.6426
  Dep-U Fr= 1--      0.7855                 0.8547                 0.7824
 Alpha2 Fr= 1--      0.1255                 0.0032                 0.1821
 Beta2  Fr= 1--      8.8468                 7.1107                12.2615
 AlphaG Fr= 1--     -0.0910                -0.0070                 0.1345
 Gamma2 Fr= 1--    -25.1736                 6.6660                25.9981
 Delta2 Fr= 1--    -13.8618                -2.8496                17.6437
 Raman1 Fr= 1--     270.303                199.673                376.102
 ROA1   Fr= 1--   -2860.244                548.753               3060.413
 CID1   Fr= 1--     -10.582                  2.748                  8.137
 Raman2 Fr= 1--     106.161                 85.328                147.138
 ROA2   Fr= 1--    -493.273                182.781                482.805
 CID2   Fr= 1--      -4.646                  2.142                  3.281
 Raman3 Fr= 1--     212.323                170.656                294.275
 ROA3   Fr= 1--   -2860.244                548.753               3060.413
 CID3   Fr= 1--     -13.471                  3.216                 10.400
 RC180  Fr= 1--       0.571                  0.709                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     53.8197                91.2901                36.4982
  Dep-P Fr= 1--      0.2209                 0.5030                 0.4146
  Dep-U Fr= 1--      0.3619                 0.6693                 0.5862
 Alpha2 Fr= 1--      0.6910                 0.4445                 0.2564
 Beta2  Fr= 1--      3.2463                10.1838                 3.5659
 AlphaG Fr= 1--     -0.2090                -0.1405                 0.2578
 Gamma2 Fr= 1--      1.3250                -0.3985                -0.6437
 Delta2 Fr= 1--      1.0351                 0.0559                -1.0357
 Raman1 Fr= 1--     215.279                365.161                145.993
 ROA1   Fr= 1--     160.322                -36.467                -94.937
 CID1   Fr= 1--       0.745                 -0.100                 -0.650
 Raman2 Fr= 1--      38.956                122.206                 42.791
 ROA2   Fr= 1--      23.518                -10.011                 -7.163
 CID2   Fr= 1--       0.604                 -0.082                 -0.167
 Raman3 Fr= 1--      77.912                244.412                 85.582
 ROA3   Fr= 1--     160.322                -36.467                -94.937
 CID3   Fr= 1--       2.058                 -0.149                 -1.109
 RC180  Fr= 1--      -0.276                  0.339                  0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172704D+03  0.550529D+01  0.316347D+01
      2   0.550529D+01  0.110219D+03  0.299819D+01
      3   0.316347D+01  0.299819D+01  0.113962D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.751522D+01 -0.875668D+01  0.539555D+01
      2   0.328981D+02 -0.918422D+01  0.466753D+01
      3   0.243950D+02 -0.411591D+02  0.148112D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.778540D+02 -0.271247D+02 -0.177781D+01
      2   0.681419D+02  0.488574D+01  0.926166D+01
      3   0.971210D+01  0.222389D+02 -0.748385D+01
      4  -0.390039D+02  0.956631D+02 -0.264374D+02
      5  -0.333482D+02 -0.290174D+02  0.653187D+01
      6  -0.123103D+02 -0.195038D+02 -0.121322D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.301365D+01  0.218945D+01 -0.391307D+01  0.141963D+01  0.359561D+00
      2   0.218945D+01  0.218456D+00  0.390739D+01  0.359561D+00  0.263961D+01
      3  -0.391307D+01  0.390739D+01  0.174155D+00  0.390015D+01  0.182803D+01
                 6             7             8             9            10 
      1   0.390015D+01 -0.420623D+01  0.391662D+01  0.316794D+00  0.210153D+02
      2   0.182803D+01  0.391662D+01  0.232318D+01 -0.522933D-01 -0.349288D+01
      3  -0.913993D+00  0.316794D+00 -0.522933D-01 -0.181337D+01  0.405809D+01
                11            12            13            14            15 
      1  -0.349288D+01  0.405809D+01 -0.820594D+01  0.218158D+01 -0.434186D+01
      2   0.623440D+00 -0.352617D+01  0.218158D+01 -0.412446D+01 -0.298630D+01
      3  -0.352617D+01 -0.711018D+00 -0.434186D+01 -0.298630D+01 -0.124151D+00
                16            17            18            19            20 
      1   0.163380D+02 -0.470678D+01  0.134076D+00 -0.433394D+02 -0.774925D+00
      2  -0.470678D+01 -0.268363D+01 -0.193238D-01 -0.774925D+00 -0.439308D+01
      3   0.134076D+00 -0.193238D-01  0.822405D+00 -0.204840D+01  0.105571D+01
                21            22            23            24            25 
      1  -0.204840D+01  0.486629D+01 -0.939502D+01  0.214568D+01 -0.636748D+01
      2   0.105571D+01 -0.939502D+01 -0.138681D+01 -0.879367D+00  0.193394D+01
      3   0.692081D-01  0.214568D+01 -0.879367D+00  0.225645D+01  0.382302D+00
                26            27            28            29            30 
      1   0.193394D+01  0.382302D+00  0.641483D+02  0.394327D+01  0.748130D+00
      2  -0.145836D+01  0.224415D+01  0.394327D+01  0.346951D+01 -0.621949D+00
      3   0.224415D+01  0.458001D+01  0.748130D+00 -0.621949D+00  0.158810D+01
                31            32            33            34            35 
      1   0.111542D+02  0.711004D+01 -0.179657D+01  0.926749D+01 -0.628732D+00
      2   0.711004D+01  0.308985D+01 -0.188376D+00 -0.628732D+00  0.113814D+01
      3  -0.179657D+01 -0.188376D+00 -0.111274D+01  0.183295D+01 -0.158503D+01
                36            37            38            39            40 
      1   0.183295D+01 -0.579272D+02 -0.349225D+01  0.275129D+01 -0.123198D+02
      2  -0.158503D+01 -0.349225D+01 -0.202131D+01  0.897848D+00 -0.513563D+01
      3  -0.309738D+01  0.275129D+01  0.897848D+00 -0.119002D+01  0.136085D+01
                41            42            43            44            45 
      1  -0.513563D+01  0.136085D+01 -0.119298D+02 -0.564814D+00 -0.402658D+01
      2  -0.245084D+01 -0.797581D+00 -0.564814D+00 -0.191268D+01  0.170361D+01
      3  -0.797581D+00  0.180984D+01 -0.402658D+01  0.170361D+01  0.249955D+01
                46            47            48            49            50 
      1   0.180138D+02  0.118006D+01 -0.290183D+01 -0.441325D+01 -0.716602D+00
      2   0.118006D+01 -0.111783D+01  0.172142D+00 -0.716602D+00 -0.613870D+00
      3  -0.290183D+01  0.172142D+00 -0.679966D+00  0.296425D+01 -0.846988D+00
                51            52            53            54            55 
      1   0.296425D+01 -0.243556D+02  0.914727D+00  0.881725D+01 -0.485040D+01
      2  -0.846988D+00  0.914727D+00  0.526657D+00 -0.847393D+00  0.572318D+00
      3  -0.150059D+01  0.881725D+01 -0.847393D+00 -0.598893D+01  0.256442D+01
                56            57            58            59            60 
      1   0.572318D+00  0.256442D+01  0.759350D+01 -0.175069D+01 -0.277081D+01
      2  -0.227254D+00 -0.481833D+00 -0.175069D+01  0.177630D+01  0.293614D+01
      3  -0.481833D+00 -0.103652D+01 -0.277081D+01  0.293614D+01  0.157033D+01
                61            62            63            64            65 
      1   0.248540D+02 -0.330918D+00 -0.997234D+01 -0.717306D+01  0.212446D+01
      2  -0.330918D+00  0.128546D+01  0.120598D+01  0.212446D+01  0.197348D-01
      3  -0.997234D+01  0.120598D+01  0.111011D+02 -0.273423D+01  0.405361D+01
                66            67            68            69            70 
      1  -0.273423D+01  0.237146D+01 -0.100093D+01  0.401877D+01 -0.736467D+01
      2   0.405361D+01 -0.100093D+01  0.175074D+01  0.358731D+01  0.420831D+01
      3   0.105846D+01  0.401877D+01  0.358731D+01 -0.989701D+00 -0.169830D-01
                71            72            73            74            75 
      1   0.420831D+01 -0.169830D-01 -0.659801D+01 -0.168091D+01 -0.148731D+01
      2   0.321489D+01 -0.270628D+00 -0.168091D+01  0.206504D+01 -0.498382D+00
      3  -0.270628D+00  0.133098D+01 -0.148731D+01 -0.498382D+00  0.271322D+01
                76            77            78            79            80 
      1  -0.179675D+01  0.269467D+01 -0.766073D+00  0.621693D+00 -0.201788D+00
      2   0.269467D+01  0.508397D+01  0.331372D+01 -0.201788D+00  0.311049D+01
      3  -0.766073D+00  0.331372D+01 -0.961309D+00  0.241541D+01 -0.175289D+01
                81            82            83            84            85 
      1   0.241541D+01  0.713348D+01  0.278108D+01  0.726694D+00  0.599337D+01
      2  -0.175289D+01  0.278108D+01  0.414592D+01  0.315377D+01  0.591935D+01
      3  -0.323082D+01  0.726694D+00  0.315377D+01 -0.289507D+01  0.241098D+01
                86            87            88            89            90 
      1   0.591935D+01  0.241098D+01  0.797610D+01  0.558363D+01 -0.347910D+01
      2  -0.164492D+01 -0.461053D-01  0.558363D+01 -0.745160D-01 -0.258058D+00
      3  -0.461053D-01  0.246354D+00 -0.347910D+01 -0.258058D+00  0.582499D+00
                91            92            93            94            95 
      1   0.100692D+01 -0.150412D+01 -0.482133D+01 -0.265945D+01  0.347662D+00
      2  -0.150412D+01 -0.992132D+00 -0.113808D+01  0.347662D+00  0.395311D+01
      3  -0.482133D+01 -0.113808D+01  0.115702D+01 -0.109987D+01  0.359471D+01
                96            97            98            99           100 
      1  -0.109987D+01 -0.786015D+01 -0.113305D+01  0.336130D+01  0.114078D+02
      2   0.359471D+01 -0.113305D+01  0.295352D+01 -0.107323D+01  0.232151D+01
      3  -0.154658D+01  0.336130D+01 -0.107323D+01  0.382927D+01  0.243250D+01
               101           102           103           104           105 
      1   0.232151D+01  0.243250D+01  0.101824D+01  0.142785D+01  0.277149D+00
      2   0.184315D+01  0.590280D+00  0.142785D+01  0.559430D+00  0.155239D+00
      3   0.590280D+00  0.148023D+01  0.277149D+00  0.155239D+00  0.246057D+00
               106           107           108           109           110 
      1   0.356180D+00  0.174349D+00  0.107415D+01 -0.102306D+00  0.422679D+00
      2   0.174349D+00 -0.223366D+00  0.496318D+00  0.422679D+00 -0.883373D+00
      3   0.107415D+01  0.496318D+00  0.102285D+01  0.920598D+00 -0.282232D+00
               111           112           113           114           115 
      1   0.920598D+00  0.181885D+00 -0.125094D+00  0.973412D-01  0.104644D+01
      2  -0.282232D+00 -0.125094D+00  0.438360D+00  0.740886D+00  0.949469D-01
      3  -0.202079D+01  0.973412D-01  0.740886D+00  0.945259D+00  0.612139D-01
               116           117           118           119           120 
      1   0.949469D-01  0.612139D-01 -0.324425D+00 -0.353822D+00 -0.761620D+00
      2   0.168029D+01  0.168591D+01 -0.353822D+00  0.268127D+00 -0.113129D+00
      3   0.168591D+01  0.789018D+01 -0.761620D+00 -0.113129D+00 -0.331456D+00
               121           122           123           124           125 
      1  -0.179765D+01  0.375872D+00 -0.287556D-01 -0.133760D+01 -0.225684D-02
      2   0.375872D+00 -0.495579D+00 -0.104670D+01 -0.225684D-02 -0.116509D+01
      3  -0.287556D-01 -0.104670D+01 -0.134680D+01  0.966843D-01 -0.808034D+00
               126           127           128           129           130 
      1   0.966843D-01 -0.189295D+01  0.152287D+01  0.547474D-01  0.859962D-01
      2  -0.808034D+00  0.152287D+01 -0.415264D+01 -0.570003D+00 -0.168644D+01
      3  -0.730007D+01  0.547474D-01 -0.570003D+00 -0.339303D+00 -0.382698D+00
               131           132           133           134           135 
      1  -0.168644D+01 -0.382698D+00  0.233817D+00 -0.737621D+00  0.187904D+00
      2   0.815974D+01  0.647369D+00 -0.737621D+00  0.221754D+01  0.131199D+01
      3   0.647369D+00  0.944190D+00  0.187904D+00  0.131199D+01  0.558116D+00
               136           137           138           139           140 
      1   0.280936D+01  0.157290D+01 -0.181034D+01 -0.940450D-01  0.111645D+01
      2   0.157290D+01  0.170013D+01 -0.148179D+01  0.111645D+01  0.255323D+01
      3  -0.181034D+01 -0.148179D+01  0.229385D+01 -0.107618D+01 -0.156708D+01
               141           142           143           144           145 
      1  -0.107618D+01 -0.459159D+01 -0.256665D+01  0.273465D+01 -0.287457D+01
      2  -0.156708D+01 -0.256665D+01 -0.300442D+01  0.250572D+01  0.374968D+00
      3   0.137142D+01  0.273465D+01  0.250572D+01 -0.427144D+01  0.187052D+01
               146           147           148           149           150 
      1   0.374968D+00  0.187052D+01  0.135499D+01 -0.829450D+00 -0.629254D+00
      2  -0.106141D+01 -0.177854D+00 -0.829450D+00  0.603123D+00  0.229082D+00
      3  -0.177854D+00 -0.243034D+01 -0.629254D+00  0.229082D+00  0.132702D+01
               151           152           153           154           155 
      1   0.185014D+01 -0.519773D+00 -0.188728D+01  0.551771D+01 -0.280637D+01
      2  -0.519773D+00  0.768720D+00 -0.756358D-02 -0.280637D+01  0.294264D+01
      3  -0.188728D+01 -0.756358D-02  0.427825D+01  0.297036D+01 -0.219086D+01
               156           157           158           159           160 
      1   0.297036D+01 -0.155521D+01  0.181423D+01 -0.137254D+01  0.200593D+01
      2  -0.219086D+01  0.181423D+01 -0.278768D+01  0.144601D+01 -0.168738D+01
      3   0.283864D+01 -0.137254D+01  0.144601D+01 -0.127325D+01  0.207401D+01
               161           162           163           164           165 
      1  -0.168738D+01  0.207401D+01 -0.131839D+01 -0.152970D+01 -0.504379D-01
      2   0.146702D+01 -0.184927D+01 -0.152970D+01 -0.250088D+01 -0.589342D+00
      3  -0.184927D+01  0.311060D+01 -0.504379D-01 -0.589342D+00 -0.676060D+00
               166           167           168           169           170 
      1  -0.123525D+01 -0.141575D+01 -0.551235D+00 -0.607599D+00 -0.847667D+00
      2  -0.141575D+01 -0.631824D+01 -0.789290D+00 -0.847667D+00 -0.299345D+01
      3  -0.551235D+00 -0.789290D+00 -0.120472D+01 -0.448208D+00 -0.101209D+01
               171           172           173           174           175 
      1  -0.448208D+00  0.265921D+01  0.753166D+00 -0.125024D+01  0.210857D+01
      2  -0.101209D+01  0.753166D+00  0.749893D+00 -0.101075D+01  0.955322D+00
      3  -0.105409D+01 -0.125024D+01 -0.101075D+01  0.133432D+01 -0.191978D+01
               176           177           178           179           180 
      1   0.955322D+00 -0.191978D+01 -0.153483D+01 -0.110080D+01  0.208671D+01
      2   0.252962D+01 -0.181580D+01 -0.110080D+01 -0.185724D+01  0.148930D+01
      3  -0.181580D+01  0.267529D+01  0.208671D+01  0.148930D+01 -0.398598D+01
               181           182           183           184           185 
      1  -0.341496D+00 -0.730102D+00 -0.194048D+00 -0.135930D+01  0.265587D+00
      2  -0.730102D+00 -0.189892D+01 -0.140365D+01  0.265587D+00 -0.516818D+01
      3  -0.194048D+00 -0.140365D+01 -0.151369D+01 -0.130400D+00 -0.295339D+01
               186           187           188           189           190 
      1  -0.130400D+00 -0.314865D+00 -0.297649D+00  0.135161D+00  0.867299D+01
      2  -0.295339D+01 -0.297649D+00 -0.280445D+01 -0.228091D+01 -0.323463D+01
      3  -0.242977D+01  0.135161D+00 -0.228091D+01 -0.312257D+01  0.115919D+01
               191           192           193           194           195 
      1  -0.323463D+01  0.115919D+01 -0.283231D+01  0.237530D+01 -0.649490D+00
      2   0.201208D+01 -0.701907D+00  0.237530D+01 -0.209527D+01  0.505561D-01
      3  -0.701907D+00  0.126213D+01 -0.649490D+00  0.505561D-01 -0.539770D+00
               196           197           198           199           200 
      1   0.520258D+01 -0.187983D+01  0.131849D+01  0.152174D+01  0.571726D+00
      2  -0.187983D+01  0.109290D+01 -0.606195D+00  0.571726D+00 -0.370543D-02
      3   0.131849D+01 -0.606195D+00  0.117512D+01  0.813601D+00 -0.205121D-01
               201           202           203           204           205 
      1   0.813601D+00  0.147003D+01 -0.988189D+00  0.250698D+00  0.192282D+01
      2  -0.205121D-01 -0.988189D+00  0.653163D+00  0.107871D+01  0.595386D+00
      3  -0.105949D+00  0.250698D+00  0.107871D+01  0.113018D+01  0.516492D+00
               206           207           208           209           210 
      1   0.595386D+00  0.516492D+00 -0.141341D+01 -0.622085D+00 -0.119681D+01
      2   0.135938D+01  0.115138D+01 -0.622085D+00 -0.722870D-01 -0.985202D-01
      3   0.115138D+01  0.454679D+01 -0.119681D+01 -0.985202D-01  0.180417D+00
               211           212           213           214           215 
      1  -0.968475D+00  0.286130D+00 -0.717789D+00 -0.183002D+01 -0.548537D+00
      2   0.286130D+00 -0.509496D+00 -0.845929D+00 -0.548537D+00 -0.118181D+01
      3  -0.717789D+00 -0.845929D+00 -0.174859D+01 -0.961705D+00 -0.161611D+01
               216           217           218           219           220 
      1  -0.961705D+00 -0.964910D+00 -0.559698D+00  0.393395D+00 -0.338758D+01
      2  -0.161611D+01 -0.559698D+00  0.605117D+00  0.398593D+00 -0.193082D+01
      3  -0.649273D+01  0.393395D+00  0.398593D+00  0.261297D+00 -0.828980D+00
               221           222           223           224           225 
      1  -0.193082D+01 -0.828980D+00 -0.120094D+01 -0.461565D+00 -0.137587D+01
      2  -0.741200D+01 -0.271919D+01 -0.461565D+00 -0.217440D+01 -0.152112D+01
      3  -0.271919D+01 -0.201962D+01 -0.137587D+01 -0.152112D+01 -0.228018D+01
               226           227           228           229           230 
      1  -0.259015D+01  0.746280D+00 -0.548321D+00  0.249502D+01 -0.115142D+01
      2   0.746280D+00 -0.279351D+00  0.504082D+00 -0.115142D+01  0.156846D+01
      3  -0.548321D+00  0.504082D+00 -0.788904D+00  0.152179D+01 -0.220159D+01
               231           232           233           234           235 
      1   0.152179D+01 -0.353074D+01  0.364541D+00 -0.322991D+01 -0.918234D+01
      2  -0.220159D+01  0.364541D+00 -0.226991D+01  0.174217D+01 -0.295238D+00
      3   0.295407D+01 -0.322991D+01  0.174217D+01 -0.632189D+01  0.225446D+01
               236           237           238           239           240 
      1  -0.295238D+00  0.225446D+01  0.511750D+00 -0.110357D+01  0.114638D+00
      2  -0.105906D+01  0.173541D+00 -0.110357D+01 -0.351365D+00  0.759215D-01
      3   0.173541D+00 -0.169196D+01  0.114638D+00  0.759215D-01  0.235120D+00
               241           242           243 
      1   0.535690D+01  0.429379D+00 -0.214757D+01
      2   0.429379D+00  0.665125D+00  0.236066D-01
      3  -0.214757D+01  0.236066D-01  0.163171D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.528054D+01  0.890744D+01  0.631699D+01  0.843405D+01  0.901313D+01
      2  -0.720160D+01  0.199591D+01  0.742751D+01  0.620789D+01  0.193775D+01
      3  -0.320866D+01 -0.847682D+01  0.149140D+01 -0.697869D+00 -0.509952D+01
                 6             7             8             9            10 
      1  -0.114002D+01  0.632473D+01  0.575238D+01 -0.476007D+01  0.629354D+01
      2  -0.662079D+01  0.342484D+01 -0.625314D+01 -0.361739D+01  0.195620D+02
      3  -0.106120D+02  0.323914D+00 -0.124224D+02 -0.793582D+00  0.103930D+02
                11            12            13            14            15 
      1  -0.547409D+01 -0.452856D+00 -0.894620D+01 -0.527886D+01 -0.527567D+01
      2  -0.908544D+01  0.238052D+01 -0.134018D+02 -0.444973D+01 -0.655336D+00
      3  -0.294479D+01  0.763220D+01  0.655536D+01  0.103751D+02  0.110224D+02
                16            17            18            19            20 
      1   0.414595D+01  0.353286D+01 -0.507809D+00 -0.287438D+00  0.367421D+01
      2   0.366655D+01  0.134927D+00  0.244274D+01 -0.308434D+02 -0.109510D+01
      3   0.107635D+02  0.115207D+02  0.344219D+00 -0.187135D+02 -0.421033D+01
                21            22            23            24            25 
      1  -0.130129D+01  0.141848D+02  0.433726D+01 -0.142697D+01 -0.500710D+01
      2   0.158577D+01  0.203680D+01 -0.697791D+01  0.372784D+01 -0.154886D+02
      3  -0.227883D+01  0.460273D+01 -0.734112D+01  0.280075D+01 -0.391482D+01
                26            27            28            29            30 
      1   0.502843D+01 -0.379767D+01 -0.539438D+01 -0.168170D+00  0.975557D-01
      2   0.227343D+01  0.210141D+01  0.408037D+02  0.475284D+01 -0.417923D+01
      3   0.521898D+00 -0.953443D+00  0.187668D+02  0.912280D+01 -0.113653D+01
                31            32            33            34            35 
      1  -0.336821D+01 -0.270718D+01 -0.291946D+01  0.171016D+01 -0.241581D+00
      2   0.122128D+02  0.362499D+01 -0.125011D+01 -0.140035D+02 -0.119794D+01
      3   0.356761D+02  0.756043D+01  0.450849D+00 -0.965348D+00 -0.502227D+00
                36            37            38            39            40 
      1   0.318746D+01  0.377232D+01  0.133413D+01 -0.764190D+00  0.742873D+01
      2   0.133267D+01 -0.463483D+02 -0.384711D+01  0.130961D+02 -0.132408D+02
      3  -0.200838D+00 -0.157552D+02 -0.115226D+02  0.152887D+01 -0.953866D+01
                41            42            43            44            45 
      1   0.971875D+00 -0.481267D+01  0.215664D+01  0.294090D+00  0.780416D+00
      2  -0.262918D+01 -0.112790D+01 -0.139523D+02 -0.371894D+01 -0.607275D+01
      3  -0.618093D+01 -0.121780D+01  0.711805D-03 -0.133829D+00  0.115048D+01
                46            47            48            49            50 
      1   0.109153D-01 -0.201703D+01  0.242044D+01  0.558464D+01 -0.371178D+01
      2   0.103982D+02  0.243382D+01 -0.475932D+01 -0.588207D+01  0.243663D+01
      3   0.748717D+00  0.120471D+02 -0.397746D+01  0.246329D+02  0.175273D+01
                51            52            53            54            55 
      1  -0.725759D+01  0.262694D+01 -0.396735D+01  0.220984D+01 -0.130339D+01
      2   0.606807D+01 -0.507483D+02  0.217535D+00  0.287111D+02 -0.148714D+01
      3  -0.207677D+01 -0.537334D+01 -0.789443D+01 -0.146378D+01  0.296318D+00
                56            57            58            59            60 
      1   0.517525D+00 -0.547913D+00  0.604540D-01  0.271863D+01 -0.149338D+01
      2   0.147706D+01  0.749008D+01  0.870938D+01 -0.881041D+01 -0.796252D+01
      3  -0.715347D+01 -0.399426D+00 -0.677742D+01  0.568495D+01  0.807220D+01
                61            62            63            64            65 
      1  -0.153092D+01  0.896115D+01 -0.367765D+00 -0.512308D+01  0.555546D+01
      2   0.305396D+02 -0.378350D+01 -0.447410D+02 -0.152403D+02  0.158616D+02
      3   0.467545D+01  0.119064D+02  0.274016D+01 -0.132621D+01 -0.436864D+01
                66            67            68            69            70 
      1  -0.467452D+01  0.787389D+01  0.274485D+01 -0.767166D+01 -0.753226D+01
      2   0.212488D+01  0.151787D+02  0.117734D+02  0.180524D+01 -0.996772D+01
      3  -0.111124D+02  0.549660D+01 -0.594085D+01 -0.181079D+02 -0.121474D+02
                71            72            73            74            75 
      1  -0.180886D+01  0.348471D+01 -0.179531D+01  0.568386D+01 -0.505207D+01
      2   0.472638D+01  0.644658D+01  0.759090D+01  0.195801D+01  0.125912D+02
      3  -0.165117D+02  0.124417D+01 -0.159796D+01 -0.130443D+02  0.797671D+00
                76            77            78            79            80 
      1   0.249884D+01  0.107174D+01  0.491144D+01 -0.422722D+01  0.955798D+01
      2   0.323836D+00  0.641499D+01 -0.315212D+01  0.477265D+01 -0.554565D+01
      3  -0.662851D+01 -0.115012D+02 -0.123188D+02  0.240434D+01 -0.114785D+02
                81            82            83            84            85 
      1   0.140726D+01 -0.378173D+01 -0.128411D+02  0.734966D+01 -0.153263D+02
      2  -0.134840D+02  0.753309D+01  0.705500D+01 -0.299639D+01  0.863523D+01
      3   0.928538D+01  0.166112D+01 -0.672017D+01 -0.565449D+01  0.668661D+01
                86            87            88            89            90 
      1   0.605853D+00 -0.378594D+01  0.509775D+01  0.227347D+01 -0.421171D+00
      2   0.431057D+01  0.223688D+01 -0.300765D+01  0.292286D+01 -0.162470D+01
      3   0.143859D+02  0.716098D+01 -0.931444D+00  0.131788D+02 -0.879466D+01
                91            92            93            94            95 
      1  -0.454928D+00  0.216423D+01  0.124241D+01 -0.586487D+01 -0.259445D+01
      2   0.195643D+02  0.308411D+01 -0.496537D+01  0.356093D+01 -0.156349D+02
      3  -0.719904D+01 -0.101906D+02 -0.283914D+01  0.123722D+02  0.188256D+02
                96            97            98            99           100 
      1  -0.819326D+01  0.460239D+01 -0.126922D+01  0.372030D+01 -0.863261D+00
      2   0.727928D+01 -0.237965D+02  0.351689D+01 -0.137912D+02 -0.458250D+01
      3   0.202701D+02 -0.434655D+01  0.120034D+02 -0.721759D+01  0.665135D+01
               101           102           103           104           105 
      1   0.204624D+01 -0.179563D+01  0.266934D+00  0.160247D+00 -0.137657D+01
      2  -0.219046D+00  0.543012D+01 -0.646114D+00 -0.745376D+00  0.709277D+00
      3  -0.671654D+01  0.913825D+00 -0.432414D+00 -0.152194D+00  0.589396D+00
               106           107           108           109           110 
      1  -0.880898D+00  0.771014D-01 -0.670054D+00 -0.670151D+00 -0.185697D+01
      2   0.114762D+01  0.991174D+00  0.228744D+01  0.382754D+01 -0.118364D+01
      3   0.176004D+00  0.678801D+00 -0.187134D+00 -0.162413D+01  0.210801D+01
               111           112           113           114           115 
      1   0.232428D+01 -0.869400D+00 -0.642260D+00 -0.159512D+01  0.339883D+00
      2  -0.631707D+01 -0.463801D+00  0.267262D+01  0.249058D+01 -0.530320D+01
      3   0.177244D+01  0.221522D+01 -0.873350D+00 -0.166942D+01  0.174301D+01
               116           117           118           119           120 
      1   0.272132D+01 -0.741689D+01  0.100154D+01  0.501847D+00  0.163316D+00
      2   0.428602D+01  0.223501D+02 -0.229745D+01 -0.468808D+00  0.481499D+00
      3  -0.366652D+01 -0.465268D+01  0.316328D+00 -0.125838D+01 -0.434292D+00
               121           122           123           124           125 
      1   0.744107D+00  0.159071D+01  0.319980D+00 -0.860141D-01  0.488000D+01
      2  -0.151469D+01 -0.499809D+00 -0.145359D+01 -0.445112D+01 -0.516167D+00
      3   0.254023D+01  0.356673D+00  0.651445D+00 -0.525053D+00  0.217186D+00
               126           127           128           129           130 
      1   0.363021D+01 -0.687402D+00  0.310298D+01  0.228386D+01  0.147708D+01
      2  -0.670201D+01 -0.508287D+00 -0.678941D+00  0.352441D+00 -0.154197D+01
      3   0.692816D+00 -0.840048D+01  0.913543D+01  0.118778D+01  0.859437D+01
               131           132           133           134           135 
      1  -0.461234D+01 -0.525891D+01 -0.810094D-03 -0.253125D+01 -0.244230D+01
      2   0.361342D+00  0.435113D+00 -0.908160D+00  0.178366D+01  0.983465D+00
      3  -0.175565D+02 -0.181255D+01  0.286897D+01 -0.570415D+01 -0.194663D+01
               136           137           138           139           140 
      1   0.346493D+01  0.187933D+01 -0.549431D+01  0.220222D+01  0.195842D+01
      2  -0.763324D+00 -0.179451D+01  0.471607D+01 -0.192853D+01 -0.216296D+01
      3   0.357805D+01 -0.235201D+01 -0.939289D+00  0.164751D+00 -0.317526D+01
               141           142           143           144           145 
      1  -0.319627D+01 -0.470318D+01 -0.112306D+01  0.935167D+01  0.565354D+01
      2   0.251731D+01 -0.720013D-01  0.294251D+01 -0.619786D+01  0.102715D+02
      3   0.488940D+00 -0.411236D+01  0.156212D+01  0.894144D+00  0.574226D+01
               146           147           148           149           150 
      1  -0.398867D+01 -0.475360D+01 -0.381013D+01  0.286023D+01  0.139918D+01
      2  -0.142939D+01 -0.515756D+01 -0.448766D+01  0.183962D+01  0.275472D+01
      3  -0.502559D+00 -0.343114D+01  0.281443D+00  0.670376D+00  0.103913D+01
               151           152           153           154           155 
      1  -0.501779D+01  0.354941D+01  0.733171D+01  0.178346D+01  0.495578D+00
      2  -0.856260D+01  0.110214D+01  0.848751D+01 -0.238306D+01 -0.107981D+01
      3  -0.355520D+01  0.128532D+01  0.397324D+01 -0.461488D+01 -0.284172D+01
               156           157           158           159           160 
      1   0.333574D+01 -0.214797D+00 -0.123850D+01 -0.218798D+01  0.128319D+01
      2   0.368052D+01  0.183095D+01  0.471473D+00 -0.717450D+00 -0.185211D+01
      3  -0.483377D+00  0.230910D+01  0.271041D+01  0.251396D+00 -0.270381D+01
               161           162           163           164           165 
      1   0.239295D+00  0.385897D+01 -0.233264D+01 -0.453323D+01 -0.342554D+01
      2  -0.716203D+00  0.365029D+01  0.182624D+01  0.141187D+01  0.167174D+00
      3  -0.519687D-01 -0.319847D+00  0.763793D+01  0.619776D+01  0.145433D+01
               166           167           168           169           170 
      1  -0.321852D+01 -0.936025D+01 -0.591797D+01 -0.227441D+01 -0.389118D+01
      2   0.100384D+01  0.179371D+01  0.709854D-01 -0.113329D+01  0.825154D-01
      3   0.754268D+01  0.134500D+02  0.246010D+01  0.407561D+01  0.697404D+01
               171           172           173           174           175 
      1  -0.456827D+01 -0.241756D+01 -0.256257D+01  0.251428D+01 -0.255460D+01
      2  -0.261867D+00 -0.127501D+01 -0.240301D+01  0.424019D+01 -0.272914D+01
      3   0.290983D+01 -0.392378D+01 -0.423852D+01  0.462249D+01 -0.314189D+01
               176           177           178           179           180 
      1  -0.734099D+01  0.374529D+01  0.343976D+01  0.631050D+01 -0.539913D+01
      2  -0.531495D+01  0.753480D+01  0.292707D+01  0.392009D+01 -0.112500D+02
      3  -0.109236D+02  0.747533D+01  0.455454D+01  0.818424D+01 -0.670786D+01
               181           182           183           184           185 
      1   0.644560D+00  0.683761D+00 -0.113651D+01 -0.734586D-02  0.266003D+01
      2  -0.250745D+01 -0.533300D+01 -0.401237D+01 -0.323772D+01 -0.100493D+02
      3   0.451513D+01  0.606260D+01  0.473910D+01  0.330556D+01  0.166494D+02
               186           187           188           189           190 
      1  -0.231127D+01  0.606991D+00  0.209818D+01 -0.250684D+01  0.476866D+01
      2  -0.832993D+01 -0.196268D+01 -0.813057D+01 -0.991475D+01  0.114738D+02
      3   0.101180D+02  0.273940D+01  0.101656D+02  0.790345D+01  0.327277D+00
               191           192           193           194           195 
      1  -0.268370D+01  0.333846D+01 -0.290316D+01  0.173868D+01 -0.193632D+01
      2  -0.554461D+01  0.844830D+01 -0.491936D+01  0.216853D+01 -0.367005D+01
      3  -0.614271D+01  0.106692D+01 -0.272316D+01  0.532162D+01  0.659638D+00
               196           197           198           199           200 
      1   0.291947D+01 -0.432618D+00  0.242215D+01  0.369633D+00 -0.500601D+00
      2   0.669832D+01 -0.325815D+01  0.624208D+01  0.407635D+00  0.189928D+00
      3   0.191393D+01 -0.263428D+01  0.562622D+00  0.130732D+01 -0.136254D-01
               201           202           203           204           205 
      1   0.108566D+00 -0.454908D+01 -0.931289D-02 -0.117223D+01  0.626701D+00
      2  -0.429490D+00 -0.170170D+01 -0.195107D+01 -0.763606D-01 -0.380515D+01
      3   0.416556D+00  0.949454D+00  0.412795D+00  0.902481D+00  0.205008D+01
               206           207           208           209           210 
      1   0.290129D+01 -0.348894D+01  0.154714D+01  0.216303D-01  0.848077D-01
      2   0.593016D+00 -0.277478D+01  0.121653D+01 -0.309940D+00 -0.643332D+00
      3   0.151211D+01 -0.297307D-01 -0.280958D+01 -0.797078D+00 -0.194924D+00
               211           212           213           214           215 
      1  -0.586272D+01  0.470782D+00 -0.122806D+00  0.191260D+01  0.449447D+01
      2   0.145883D+01  0.173745D+01  0.266670D+01 -0.311430D+01  0.249708D+01
      3   0.934122D+01  0.707958D-02 -0.163269D+01 -0.286926D+01 -0.286181D+01
               216           217           218           219           220 
      1   0.408425D+00 -0.122979D+00 -0.657799D+00 -0.196113D+00  0.196362D+01
      2   0.105786D+02 -0.112868D+01 -0.191354D+01  0.528502D+00 -0.720436D+00
      3  -0.324365D+01  0.140735D+00  0.306651D+01  0.214922D+01 -0.674579D+01
               221           222           223           224           225 
      1   0.578421D+01 -0.334645D+00  0.642790D-01  0.227980D+01 -0.317677D-01
      2   0.981841D+01  0.774925D+01  0.340147D+01  0.584964D+01  0.795374D+01
      3  -0.329567D+02 -0.127113D+02 -0.106856D+01 -0.954175D+01 -0.660832D+01
               226           227           228           229           230 
      1  -0.379803D+00  0.621696D+00 -0.848371D+00  0.230558D+01 -0.302982D+01
      2  -0.133366D+00 -0.142566D+01  0.405094D+01 -0.430705D+01  0.859101D+01
      3   0.173678D+01 -0.282981D+01  0.209801D+01 -0.745502D+01  0.720402D+01
               231           232           233           234           235 
      1   0.253926D+01 -0.262575D+01  0.455550D+01 -0.466966D+01  0.158435D+01
      2  -0.121628D+02  0.893950D+01 -0.739000D+01  0.246921D+02 -0.161930D+02
      3  -0.110746D+02  0.457230D+01 -0.993758D+01  0.104623D+02  0.260260D+01
               236           237           238           239           240 
      1   0.939869D-01 -0.113746D+01  0.887840D+00  0.341713D+00 -0.515896D+00
      2  -0.911201D+00  0.116559D+02 -0.436379D+00 -0.726789D+00 -0.867130D+00
      3  -0.653219D+01 -0.488917D+00 -0.275706D+01 -0.909352D+00  0.401790D+00
               241           242           243 
      1  -0.121934D+01  0.874604D+00  0.754605D+00
      2   0.102427D+02 -0.860640D-01 -0.940851D+01
      3  -0.348537D+00  0.363060D+01  0.956965D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.748962D+01  0.701289D+01 -0.629960D+01  0.256644D+01  0.242374D+01
      2  -0.134881D+01 -0.165355D+02 -0.873557D+01 -0.114826D+02 -0.132650D+02
      3  -0.614081D+01  0.952262D+01  0.150352D+02  0.891618D+01  0.108413D+02
      4   0.146055D+02 -0.969891D+01  0.231447D+02 -0.637439D+01  0.643147D+01
      5  -0.185071D+02  0.193049D+02 -0.910882D+01  0.189643D+02  0.362197D+01
      6   0.143327D+02 -0.162442D+02  0.829454D+01 -0.111916D+02 -0.755831D+01
                 6             7             8             9            10 
      1   0.218263D+02 -0.623701D+01  0.218896D+02  0.150254D+01 -0.914716D+00
      2  -0.164412D+02 -0.996481D+01 -0.188925D+02  0.409401D+01  0.100251D+02
      3  -0.538514D+01  0.162018D+02 -0.299709D+01 -0.559654D+01 -0.911039D+01
      4  -0.643664D+01  0.239288D+02 -0.893290D+01  0.244654D+01 -0.151095D+02
      5   0.528594D+01 -0.829863D+01  0.840759D+01 -0.597351D+01  0.147675D+02
      6   0.417105D+01  0.708951D+01  0.255825D+01  0.183769D+01 -0.113065D+02
                11            12            13            14            15 
      1  -0.402896D+01  0.728155D+01 -0.790082D+01 -0.768963D+01 -0.227737D+02
      2   0.318875D+01 -0.742699D-02  0.351856D+01  0.118247D+02  0.106097D+02
      3   0.840210D+00 -0.727412D+01  0.438226D+01 -0.413511D+01  0.121640D+02
      4   0.361881D+01 -0.199153D+02  0.646192D+01 -0.239111D+02 -0.881081D+01
      5  -0.172378D+02 -0.737470D+01 -0.199110D+02 -0.175599D+02  0.587672D+00
      6   0.972493D+01 -0.153566D+01 -0.173322D+01  0.179584D+01 -0.777651D+01
                16            17            18            19            20 
      1   0.641866D+01 -0.210110D+02 -0.697284D+01  0.420246D+02  0.887503D+01
      2   0.704746D+01  0.124800D+02 -0.146620D+01 -0.445203D+02 -0.129672D+02
      3  -0.134661D+02  0.853104D+01  0.843904D+01  0.249568D+01  0.409217D+01
      4  -0.283382D+02 -0.339358D+01  0.710813D+00 -0.782365D-01 -0.122487D+02
      5  -0.877243D+01  0.409930D+00  0.394174D+01  0.511355D+01  0.301613D+01
      6  -0.170706D+01 -0.480549D+01 -0.225117D+00  0.760050D+01 -0.199425D+01
                21            22            23            24            25 
      1   0.308895D+01  0.198630D+02  0.499808D+01  0.561112D+01  0.233746D+01
      2  -0.219406D+01 -0.196132D+02 -0.130024D+02  0.161266D+01 -0.634806D+01
      3  -0.894887D+00 -0.249808D+00  0.800431D+01 -0.722378D+01  0.401060D+01
      4   0.424200D+01 -0.347859D+02 -0.520271D+01 -0.274155D+01  0.110953D+02
      5   0.470736D+01  0.241148D+01  0.277595D+01  0.391395D+01  0.522498D+01
      6   0.230329D+01  0.714724D+01  0.490931D+01  0.168718D+01  0.232194D+01
                26            27            28            29            30 
      1   0.883381D+01  0.168663D+02 -0.121787D+03 -0.671784D+01  0.586365D+01
      2  -0.292403D+01  0.648954D+01  0.903131D+02  0.485110D+01 -0.239499D+01
      3  -0.590978D+01 -0.233558D+02  0.314734D+02  0.186674D+01 -0.346866D+01
      4  -0.685219D+01  0.682841D+01  0.432691D+01 -0.110651D+02  0.196036D+01
      5   0.441242D+01  0.635089D+01 -0.682849D+01  0.174531D+01 -0.123049D+02
      6   0.756905D+00 -0.214222D+00 -0.133831D+02 -0.612288D+01  0.159926D+01
                31            32            33            34            35 
      1  -0.301035D+02 -0.240166D+02  0.671837D+01 -0.289087D+02  0.206347D+01
      2   0.254031D+02  0.233822D+02 -0.475141D+01  0.182398D+02 -0.274126D+01
      3   0.470042D+01  0.634396D+00 -0.196697D+01  0.106689D+02  0.677783D+00
      4  -0.347456D+01 -0.708198D+01  0.171147D+01 -0.182929D+01  0.219167D+00
      5  -0.679586D+00 -0.250909D+00 -0.233870D+01  0.226729D-01  0.161347D+01
      6  -0.344504D+01 -0.675335D+01  0.492563D+01 -0.147973D+01 -0.336459D-01
                36            37            38            39            40 
      1  -0.326078D+01  0.147652D+03  0.108917D+02 -0.916007D+01  0.302571D+02
      2  -0.249659D+01 -0.106248D+03 -0.679487D+01  0.610850D+01 -0.157770D+02
      3   0.575738D+01 -0.414041D+02 -0.409687D+01  0.305157D+01 -0.144802D+02
      4   0.171858D+01 -0.395572D+01  0.170742D+02 -0.136337D+01  0.307233D+02
      5   0.231999D+01 -0.807759D+01 -0.270069D+01  0.204808D+02 -0.405044D+01
      6  -0.496447D+01  0.158516D+02  0.610924D+01 -0.315839D+01  0.115870D+02
                41            42            43            44            45 
      1   0.141568D+01  0.257070D+01  0.320418D+02  0.902870D+01  0.127662D+02
      2   0.415396D+01  0.306071D+01 -0.199111D+02 -0.354669D+01 -0.102161D+01
      3  -0.556963D+01 -0.563141D+01 -0.121307D+02 -0.548201D+01 -0.117445D+02
      4   0.662822D+01  0.381955D+01 -0.155635D+01  0.417098D+01 -0.668794D+01
      5   0.405320D+01 -0.444896D+01  0.265958D+02 -0.457665D+01 -0.791420D+01
      6   0.111604D+01  0.519234D+01 -0.247138D+01  0.383232D+01 -0.586157D+01
                46            47            48            49            50 
      1  -0.626968D+02 -0.565041D+01 -0.103864D+02 -0.110093D+01 -0.325046D+01
      2   0.455969D+02 -0.159901D+01  0.242224D+01 -0.461528D+01  0.673794D+01
      3   0.170999D+02  0.724942D+01  0.796413D+01  0.571621D+01 -0.348748D+01
      4  -0.714209D+01 -0.163125D+02 -0.530535D+01  0.155658D+01  0.174492D+01
      5  -0.686443D+00 -0.248416D+01 -0.165996D+02 -0.235650D+02  0.579845D+01
      6  -0.118200D+02 -0.224649D+01 -0.910860D+00  0.188999D+01 -0.459070D+01
                51            52            53            54            55 
      1  -0.900123D+01  0.385679D+02 -0.496290D+01 -0.164382D+02  0.287376D+02
      2   0.100295D+02 -0.403162D+02 -0.584947D+00  0.212127D+02 -0.169390D+02
      3  -0.102829D+01  0.174829D+01  0.554785D+01 -0.477453D+01 -0.117986D+02
      4   0.717529D+01 -0.246820D+02  0.553773D+01  0.942873D+01 -0.668524D+01
      5   0.668510D+01 -0.603724D+02  0.438379D+01  0.445475D+02 -0.193853D+02
      6   0.386463D+01  0.119553D+02 -0.628534D+01 -0.696847D+01  0.197149D+01
                56            57            58            59            60 
      1  -0.284907D+01 -0.105870D+02 -0.209644D+02 -0.749430D+00  0.298926D+01
      2   0.268386D+01  0.724912D+01  0.135931D+02  0.842444D+00 -0.323112D+01
      3   0.165211D+00  0.333788D+01  0.737136D+01 -0.930142D-01  0.241858D+00
      4   0.121211D+02  0.491158D+01  0.214315D+02 -0.138840D+02 -0.205498D+02
      5   0.407620D+01  0.205992D+02  0.172424D+02 -0.201781D+02 -0.111117D+02
      6  -0.140166D+01 -0.122962D+01 -0.101290D+02  0.795150D+01  0.132293D+02
                61            62            63            64            65 
      1  -0.672129D+02 -0.307037D+01  0.172055D+01 -0.302910D+02  0.197055D+02
      2   0.533045D+02  0.233113D+01 -0.316259D+02  0.661068D+01 -0.387293D+01
      3   0.139085D+02  0.739238D+00  0.299053D+02  0.236803D+02 -0.158325D+02
      4   0.134274D+02 -0.160175D+02 -0.141946D+02  0.208454D+02 -0.585305D+01
      5   0.668849D+02 -0.845578D+01 -0.764144D+02 -0.166868D+02  0.234197D+02
      6  -0.107309D+02  0.146586D+02  0.884148D+01  0.864980D+01 -0.104209D+02
                66            67            68            69            70 
      1  -0.116617D+02  0.140167D+02  0.502273D+01  0.345678D+02 -0.224216D+02
      2  -0.967489D+00  0.174044D+01 -0.386829D+00 -0.253166D+02  0.175260D+01
      3   0.126292D+02 -0.157571D+02 -0.463590D+01 -0.925125D+01  0.206690D+02
      4   0.282671D+02 -0.104065D+02  0.647955D+01  0.120044D+02  0.343712D+02
      5   0.669862D+01  0.245957D+02  0.172275D+02 -0.135872D+02  0.418146D+01
      6  -0.865089D+01 -0.633853D+01 -0.107634D+02 -0.848377D+01 -0.733704D+01
                71            72            73            74            75 
      1   0.355677D+02  0.293614D+01 -0.506732D+02 -0.160171D+02 -0.127459D+02
      2  -0.254779D+02  0.870021D+00  0.215188D+02  0.911591D+01 -0.349209D+01
      3  -0.100898D+02 -0.380616D+01  0.291544D+02  0.690123D+01  0.162380D+02
      4   0.845006D+01 -0.618971D+01 -0.212194D+02  0.222698D+01 -0.312932D+01
      5  -0.997050D+01  0.623030D+01 -0.159543D+02 -0.378360D+01  0.102052D+02
      6  -0.886169D+01 -0.266821D+00 -0.268233D+01 -0.364878D+01  0.636802D+01
                76            77            78            79            80 
      1  -0.144686D+02  0.110988D+02 -0.407684D+01 -0.172442D+01 -0.274019D+01
      2   0.115296D+02 -0.601389D+01  0.111120D+02 -0.649400D+01  0.834019D+01
      3   0.293897D+01 -0.508495D+01 -0.703518D+01  0.821842D+01 -0.559999D+01
      4   0.109985D+02  0.261014D+02  0.146744D+02  0.686024D+00  0.741957D+01
      5  -0.586650D+01  0.222706D+02 -0.509626D+01  0.133870D+02 -0.585639D+01
      6   0.449367D+01  0.100999D+02  0.146495D+01  0.540457D+01 -0.573974D+00
                81            82            83            84            85 
      1   0.223531D+02 -0.109923D+02 -0.999021D+01 -0.947705D+01 -0.102327D+02
      2  -0.231063D+01  0.180002D+02  0.253942D+02  0.146707D+02  0.223229D+02
      3  -0.200425D+02 -0.700793D+01 -0.154040D+02 -0.519368D+01 -0.120902D+02
      4  -0.237926D+01  0.944569D+01  0.100142D+02  0.111496D+02  0.212075D+02
      5  -0.102770D+02  0.226287D+01  0.118623D+02 -0.156720D+02  0.126090D+02
      6  -0.801134D+01  0.164318D+01  0.135667D+02 -0.130600D+02  0.599254D+01
                86            87            88            89            90 
      1   0.114348D+02  0.101232D+02 -0.274566D+02  0.112965D+02 -0.979304D+01
      2  -0.113692D+02 -0.868614D+01  0.306614D+02 -0.910857D+01  0.612281D+01
      3  -0.655318D-01 -0.143704D+01 -0.320488D+01 -0.218794D+01  0.367023D+01
      4   0.102780D+02  0.617480D+01  0.215841D+02  0.131599D+02 -0.978726D+01
      5  -0.110186D+01  0.168530D+00 -0.207499D+02 -0.522014D+01  0.496639D+01
      6  -0.624489D+01 -0.290601D+01 -0.166647D+02 -0.512219D+01  0.700738D+01
                91            92            93            94            95 
      1  -0.144537D+02  0.811208D+01  0.410891D+02  0.188892D+02  0.122970D+02
      2   0.546128D+01 -0.220271D+01 -0.194611D+02 -0.154319D+02 -0.102362D+02
      3   0.899240D+01 -0.590937D+01 -0.216281D+02 -0.345722D+01 -0.206080D+01
      4   0.139919D+02  0.132330D+02  0.117984D+02 -0.392047D+01 -0.292809D+02
      5   0.473160D+02  0.109694D+02 -0.206154D+01  0.136745D+02 -0.271789D+02
      6   0.675133D+01  0.450383D+01  0.249648D+01 -0.334478D+01 -0.994287D+01
                96            97            98            99           100 
      1   0.110841D+02  0.588435D+02  0.102414D+02 -0.193501D+02  0.859118D+02
      2  -0.165029D+02 -0.277149D+02 -0.125658D+02  0.145387D+02 -0.428358D+02
      3   0.541874D+01 -0.311286D+02  0.232442D+01  0.481140D+01 -0.430759D+02
      4  -0.292718D+02  0.131335D+02 -0.223552D+02  0.116838D+02  0.331451D+02
      5   0.180695D+02 -0.226776D+02  0.120724D+02 -0.281969D+02  0.267812D+02
      6  -0.901136D+01  0.362749D+01 -0.509110D+01  0.595833D+01  0.716975D+01
               101           102           103           104           105 
      1   0.141567D+02  0.139379D+02  0.625366D+01  0.700197D+01  0.121150D+01
      2  -0.404969D+01 -0.884677D+01 -0.427540D+00  0.569786D+00 -0.119099D+01
      3  -0.101070D+02 -0.509115D+01 -0.582612D+01 -0.757175D+01 -0.205089D-01
      4   0.190083D+02  0.737597D+01  0.152787D+02  0.663012D+01  0.226866D+01
      5   0.620039D+01  0.154203D+02  0.327304D+01  0.173050D+01  0.191702D+01
      6   0.440258D+01  0.408500D+01  0.303740D+01  0.562835D+00  0.237966D+01
               106           107           108           109           110 
      1   0.227790D+01  0.912608D+00  0.499724D+01  0.157849D+01  0.460968D+01
      2  -0.249966D+01 -0.215291D+01 -0.522872D+01 -0.299926D+01 -0.280259D+01
      3   0.221759D+00  0.124030D+01  0.231479D+00  0.142077D+01 -0.180709D+01
      4   0.202558D+01 -0.579958D+00  0.450850D+01  0.205499D+01 -0.201705D+01
      5   0.113418D+02  0.357532D+01  0.669447D+01  0.308992D+01  0.692305D-01
      6   0.294205D+01  0.193652D+01  0.293396D+01  0.283529D+01 -0.268410D+01
               111           112           113           114           115 
      1   0.101992D+02  0.191091D+01 -0.639890D+01 -0.310115D+01  0.745715D+01
      2   0.638913D+00 -0.138462D+01  0.229740D+01  0.101163D+01 -0.422351D+01
      3  -0.108381D+02 -0.526285D+00  0.410150D+01  0.208951D+01 -0.323364D+01
      4   0.108689D+01  0.151221D+01  0.964697D+00  0.292019D+01  0.338425D+01
      5  -0.404960D+01  0.137048D+01  0.175560D+01  0.382184D+01  0.591319D+01
      6  -0.488809D+01 -0.732581D+00  0.393101D+01  0.920577D+01  0.993256D+00
               116           117           118           119           120 
      1  -0.569386D+01 -0.234765D+02  0.188495D+00 -0.129489D-02 -0.249487D+01
      2   0.655390D+00 -0.123160D+02 -0.407641D+01 -0.151142D+00 -0.617794D+00
      3   0.503847D+01  0.357925D+02  0.388791D+01  0.152437D+00  0.311266D+01
      4   0.728870D+01  0.684195D+01 -0.104828D+01  0.264256D+01 -0.285129D-02
      5   0.777288D+01  0.327495D+02  0.116561D+00  0.963176D+00  0.654915D+01
      6   0.961683D+01  0.193730D+02  0.573854D+00  0.378544D+00 -0.290430D+00
               121           122           123           124           125 
      1   0.764625D+00 -0.633141D+01 -0.413596D+01 -0.179175D+01 -0.138471D+01
      2  -0.567064D+00  0.244609D+01 -0.207725D+01  0.869939D+00 -0.226103D+01
      3  -0.197561D+00  0.388532D+01  0.621321D+01  0.921814D+00  0.364573D+01
      4   0.177215D+01 -0.178371D+01 -0.158117D+01 -0.340725D+00 -0.249584D+01
      5   0.132831D+01 -0.196229D+01 -0.248316D+01  0.565833D+01 -0.168337D+01
      6   0.201514D+00  0.111505D+01  0.618050D+01 -0.582771D+00  0.549347D+01
               126           127           128           129           130 
      1  -0.252617D+02 -0.684567D+01  0.191732D+02  0.247968D+01  0.100517D+02
      2  -0.131096D+02  0.879713D+01 -0.269908D+02 -0.340034D+01 -0.128134D+02
      3   0.383713D+02 -0.195146D+01  0.781761D+01  0.920663D+00  0.276175D+01
      4  -0.342723D+01 -0.433620D+01  0.155156D+01 -0.618571D+00  0.574494D+01
      5  -0.116214D+02  0.488308D+00 -0.118972D+01  0.139929D+01 -0.116109D+01
      6  -0.836613D+00  0.135074D+01 -0.283822D+01 -0.245788D+01 -0.122913D+01
               131           132           133           134           135 
      1  -0.353097D+02 -0.348003D+01  0.509665D+01 -0.986486D+01 -0.506677D+01
      2   0.542237D+02  0.499007D+01 -0.493442D+01  0.136928D+02  0.581934D+01
      3  -0.189140D+02 -0.151004D+01 -0.162229D+00 -0.382791D+01 -0.752575D+00
      4   0.986439D+01  0.574945D-01  0.585054D+00  0.246993D+01  0.248340D+01
      5   0.104214D+01  0.245639D+01  0.340156D+01  0.298074D+01  0.854730D+00
      6   0.461344D+01  0.784594D+01  0.532069D+00  0.965158D+01  0.364045D+01
               136           137           138           139           140 
      1   0.113010D+02  0.110278D+01 -0.218270D+01  0.299871D+01 -0.613589D+01
      2  -0.387856D+01  0.320806D+01 -0.807503D+00  0.379692D+00  0.116153D+02
      3  -0.742245D+01 -0.431084D+01  0.299020D+01 -0.337840D+01 -0.547941D+01
      4   0.172566D+02  0.151115D+02 -0.115828D+02  0.112897D+02  0.134788D+02
      5  -0.153680D+02 -0.977109D+01  0.162459D+02 -0.651941D+01 -0.942062D+01
      6  -0.971761D+01 -0.918864D+01  0.110972D+02 -0.733417D+01 -0.105208D+02
               141           142           143           144           145 
      1   0.246727D+01  0.435333D+00  0.637109D+01 -0.570006D+01 -0.685075D+01
      2  -0.439658D+01 -0.329961D+01 -0.875421D+01  0.141496D+00 -0.334170D+01
      3   0.192931D+01  0.286427D+01  0.238312D+01  0.555856D+01  0.101924D+02
      4  -0.996877D+01 -0.182502D+02 -0.170325D+02  0.157876D+02  0.626641D+01
      5   0.808510D+01  0.188652D+02  0.138209D+02 -0.229558D+02 -0.218521D+01
      6   0.101826D+02  0.146659D+02  0.169289D+02 -0.219539D+02 -0.367683D+01
               146           147           148           149           150 
      1  -0.361171D+01  0.109996D+02  0.101559D+01 -0.200050D+01 -0.580631D+01
      2   0.593978D+01  0.390773D+01  0.325577D+01 -0.484922D-01 -0.141016D+01
      3  -0.232807D+01 -0.149073D+02 -0.427136D+01  0.204899D+01  0.721647D+01
      4  -0.589733D+00 -0.606959D+01 -0.174694D+01  0.259951D+01  0.164871D+01
      5  -0.121294D+01  0.149339D+01 -0.838572D+00 -0.551912D+00  0.249777D+01
      6  -0.202450D+01  0.575928D+01 -0.118558D+01  0.250563D+01  0.776401D+00
               151           152           153           154           155 
      1   0.848898D+01 -0.867423D+00 -0.164310D+02  0.163620D+02 -0.190254D+01
      2   0.394006D+01 -0.206886D+01 -0.788215D+01 -0.807711D+01 -0.321082D+01
      3  -0.124290D+02  0.293628D+01  0.243132D+02 -0.828491D+01  0.511336D+01
      4  -0.794339D+01  0.262635D+01  0.478439D+01 -0.280259D+02  0.225777D+02
      5   0.393061D+01 -0.124665D+01  0.364958D+01  0.250069D+02 -0.147390D+02
      6   0.283401D+01  0.431449D+01 -0.902277D+01 -0.136576D+02  0.137183D+02
               156           157           158           159           160 
      1   0.243092D+01 -0.175725D+01 -0.321323D+01  0.137847D+01  0.406416D+01
      2  -0.392133D+01 -0.165005D+01  0.920537D+01 -0.156325D+01 -0.414843D+01
      3   0.149041D+01  0.340730D+01 -0.599215D+01  0.184788D+00  0.842642D-01
      4  -0.168840D+02  0.159527D+02 -0.167977D+02  0.106053D+02 -0.143949D+02
      5   0.210261D+02 -0.953861D+01  0.938189D+01 -0.845048D+01  0.173174D+02
      6  -0.137196D+02  0.937660D+01 -0.111515D+02  0.101002D+02 -0.105962D+02
               161           162           163           164           165 
      1   0.144071D+01 -0.232551D+01 -0.634481D+01 -0.117664D+02 -0.416665D-01
      2  -0.677173D+00 -0.465420D+01  0.827081D+01  0.175630D+02  0.353255D+01
      3  -0.763535D+00  0.697971D+01 -0.192600D+01 -0.579663D+01 -0.349089D+01
      4   0.113743D+02 -0.129342D+02  0.219879D+01  0.325854D+01 -0.961627D+00
      5  -0.113313D+02  0.185682D+02 -0.780072D+00 -0.413075D+01  0.144851D+00
      6   0.116014D+02 -0.145926D+02 -0.583390D+00 -0.100164D+00  0.269916D+01
               166           167           168           169           170 
      1  -0.689534D+01 -0.240502D+02 -0.314385D+01 -0.286129D+01 -0.113563D+02
      2   0.104326D+02  0.400651D+02  0.754334D+01  0.466288D+01  0.175986D+02
      3  -0.353729D+01 -0.160149D+02 -0.439949D+01 -0.180159D+01 -0.624229D+01
      4   0.527862D+01 -0.832940D+01  0.481410D+00  0.570253D+00 -0.405867D+01
      5  -0.415166D+01 -0.482950D+01 -0.402887D+01  0.164293D+00 -0.377101D+01
      6   0.771971D+00 -0.199305D+01  0.648339D+01  0.103528D+01  0.482812D+01
               171           172           173           174           175 
      1  -0.448373D+01  0.172973D+02  0.459379D+01 -0.810230D+01  0.139711D+02
      2   0.562865D+01 -0.120438D+02 -0.536330D+01  0.958451D+01 -0.121451D+02
      3  -0.114491D+01 -0.525344D+01  0.769513D+00 -0.148220D+01 -0.182605D+01
      4  -0.932132D+00  0.290728D+01  0.700131D+01 -0.633979D+01  0.724465D+01
      5  -0.281053D+01 -0.130758D+02 -0.876259D+01  0.137689D+02 -0.164835D+02
      6   0.539400D+01 -0.180924D+01 -0.751977D+00  0.117772D+01 -0.952433D+00
               176           177           178           179           180 
      1   0.397754D+01 -0.904162D+01 -0.966643D+01 -0.633549D+01  0.532441D+01
      2  -0.608022D+01  0.136653D+02  0.124060D+02  0.101899D+02 -0.170505D+02
      3   0.210268D+01 -0.462367D+01 -0.273955D+01 -0.385437D+01  0.117261D+02
      4   0.161491D+02 -0.101520D+02 -0.643542D+01 -0.107240D+02  0.830056D+01
      5  -0.124049D+02  0.198543D+02  0.190569D+02  0.116504D+02 -0.289841D+02
      6  -0.528579D+01  0.403055D+01  0.883699D+00  0.588287D+01 -0.112843D+01
               181           182           183           184           185 
      1  -0.332738D+01 -0.128526D+02 -0.748291D+01 -0.964560D+01 -0.207153D+02
      2   0.298744D+01  0.934499D+01  0.303328D+01  0.420288D+01  0.211672D+02
      3   0.339932D+00  0.350760D+01  0.444963D+01  0.544272D+01 -0.451992D+00
      4  -0.993492D+00 -0.393822D+01 -0.482716D+01  0.695640D+01 -0.240788D+02
      5   0.211159D+01 -0.388538D+01 -0.403760D+01  0.235625D+01 -0.134405D+02
      6   0.205061D+01  0.776469D+01  0.690504D+01 -0.103494D+00  0.205982D+02
               186           187           188           189           190 
      1  -0.151138D+02 -0.389039D+01 -0.155573D+02 -0.134753D+02  0.701717D+02
      2   0.886954D+01  0.263402D+01  0.932445D+01  0.256502D+01 -0.273780D+02
      3   0.624426D+01  0.125637D+01  0.623285D+01  0.109103D+02 -0.427937D+02
      4  -0.136329D+02  0.137580D+00 -0.133406D+02 -0.980753D+01 -0.388550D+02
      5  -0.113455D+02  0.434849D+01 -0.972446D+01 -0.150019D+02  0.227329D+01
      6   0.165194D+02  0.654401D+00  0.157911D+02  0.153958D+02 -0.128266D+01
               191           192           193           194           195 
      1  -0.204753D+02  0.101229D+02 -0.201760D+02  0.100795D+02 -0.526117D+01
      2   0.339496D+01 -0.183215D+01  0.270989D+01  0.128209D+01  0.124727D+01
      3   0.170803D+02 -0.829074D+01  0.174662D+02 -0.113616D+02  0.401389D+01
      4   0.226453D+02 -0.694291D+01  0.246635D+02 -0.188430D+02  0.265966D+01
      5  -0.246878D+01  0.111431D+02 -0.192104D+01 -0.114306D+00 -0.342698D+01
      6   0.214875D+00 -0.307688D+01  0.441765D-01  0.101176D+01  0.400502D+01
               196           197           198           199           200 
      1   0.285259D+02 -0.100576D+02  0.869430D+01 -0.161380D+01 -0.100571D+01
      2  -0.919677D+01  0.182675D+01 -0.362438D+01  0.193127D+01  0.773895D+00
      3  -0.193291D+02  0.823082D+01 -0.506992D+01 -0.317469D+00  0.231812D+00
      4  -0.192410D+02  0.112280D+02 -0.610189D+01  0.479056D+00  0.119681D+01
      5   0.989379D+01 -0.361776D+01  0.922507D+01 -0.807998D+00  0.576149D+00
      6  -0.303497D+01  0.323120D+01 -0.369275D+01  0.110870D+01 -0.133080D-01
               201           202           203           204           205 
      1  -0.120729D+01 -0.234487D+01 -0.106705D+01 -0.430385D+01 -0.572633D+01
      2   0.100272D+01 -0.156554D+01  0.478838D+00  0.220178D+01  0.276480D+01
      3   0.204568D+00  0.391042D+01  0.588210D+00  0.210207D+01  0.296153D+01
      4   0.901941D+00  0.162557D+00 -0.113188D+01 -0.182616D+01  0.997825D+00
      5   0.175869D+01  0.554157D+00 -0.115857D+01 -0.516160D+00  0.833841D+00
      6   0.107181D+00 -0.122742D+01  0.313934D+01  0.314481D+01  0.120392D+01
               206           207           208           209           210 
      1  -0.567547D+01 -0.123570D+02  0.244580D+01  0.206807D+01  0.546276D+01
      2   0.398624D+01  0.191466D+01 -0.339072D+01 -0.115442D+01 -0.206305D+01
      3   0.168923D+01  0.104423D+02  0.944918D+00 -0.913648D+00 -0.339971D+01
      4  -0.127868D+01 -0.243481D+01  0.261681D+01  0.134827D+01  0.156574D+01
      5  -0.156889D+01 -0.435220D+01  0.528967D+01  0.176048D+01  0.462254D+01
      6   0.488037D+01  0.702005D+01  0.172407D+01 -0.127621D+00  0.587588D+00
               211           212           213           214           215 
      1   0.236972D+01 -0.357333D+01 -0.370626D+01  0.199466D+01 -0.438055D+01
      2  -0.409239D+01  0.332972D+00 -0.188502D+01 -0.371402D+01 -0.401922D+00
      3   0.172267D+01  0.324036D+01  0.559129D+01  0.171936D+01  0.478247D+01
      4  -0.234839D+01  0.129955D+01  0.205566D+01  0.321911D+01  0.344196D+01
      5   0.465156D+01  0.288011D+01  0.643828D+01  0.788342D+01  0.529624D+01
      6  -0.158331D+01  0.250194D+01  0.388431D+01  0.226950D+01  0.615833D+01
               216           217           218           219           220 
      1  -0.191064D+02  0.312752D+01  0.790029D+01 -0.160000D+00  0.209957D+02
      2  -0.830347D+01 -0.418927D+00 -0.545460D+01 -0.108334D+00 -0.624323D+01
      3   0.274099D+02 -0.270859D+01 -0.244568D+01  0.268333D+00 -0.147524D+02
      4   0.410126D+01  0.290182D+01 -0.192397D+00 -0.156829D+01  0.213344D+02
      5   0.212394D+02 -0.250313D+01 -0.904309D+00  0.994797D-01  0.926762D+01
      6   0.601135D+01  0.193375D+01 -0.130951D+01 -0.158509D+01  0.492321D+01
               221           222           223           224           225 
      1  -0.883972D+01 -0.329212D+01  0.690130D+01 -0.375153D+01  0.135969D+01
      2   0.209937D+02  0.461413D+01 -0.384326D+01  0.325824D+01 -0.177968D+01
      3  -0.121540D+02 -0.132201D+01 -0.305804D+01  0.493293D+00  0.419987D+00
      4   0.584731D+02  0.219239D+02  0.424706D+01  0.174284D+02  0.112863D+02
      5   0.204237D+02  0.154913D+02  0.133189D+02  0.114589D+02  0.180001D+02
      6   0.173148D+02  0.117342D+02  0.208686D+01  0.987842D+01  0.647286D+01
               226           227           228           229           230 
      1   0.160698D+02 -0.622000D+01  0.638436D+01 -0.193175D+02  0.185667D+01
      2  -0.111712D+02  0.394876D+01 -0.518383D+01  0.127235D+02 -0.175378D+01
      3  -0.489853D+01  0.227124D+01 -0.120053D+01  0.659402D+01 -0.102887D+00
      4  -0.684574D+01  0.428012D+01 -0.527077D+01  0.130469D+02 -0.142896D+02
      5   0.823650D+01 -0.597575D+01  0.113854D+02 -0.169164D+02  0.185350D+02
      6  -0.276690D+01  0.545748D+00 -0.743915D+00  0.451447D+01 -0.596541D+01
               231           232           233           234           235 
      1  -0.568797D+01  0.230602D+02 -0.140101D+00  0.976634D+01  0.967053D+02
      2   0.995397D+01 -0.178036D+02  0.525252D+01 -0.217278D+02 -0.459813D+02
      3  -0.426599D+01 -0.525657D+01 -0.511242D+01  0.119614D+02 -0.507240D+02
      4   0.197260D+02 -0.513961D+01  0.195832D+02 -0.164967D+02  0.675786D+01
      5  -0.261545D+02  0.331347D+02 -0.152478D+02  0.549457D+02 -0.188442D+02
      6   0.877413D+01 -0.286870D+01  0.720384D+01 -0.671505D+01 -0.286119D+01
               236           237           238           239           240 
      1   0.222782D+01 -0.231332D+02 -0.468665D+01  0.825530D+01 -0.621029D+00
      2   0.721292D-01  0.977453D+01  0.333727D+01 -0.250377D+01  0.928493D+00
      3  -0.229995D+01  0.133587D+02  0.134938D+01 -0.575153D+01 -0.307463D+00
      4   0.132246D+02 -0.262439D+01  0.131447D+02  0.299715D+01 -0.177189D+01
      5  -0.171867D+01  0.174222D+02 -0.696083D+00 -0.134447D+01 -0.228414D+01
      6   0.187794D+00  0.182747D+01 -0.286018D+00  0.601810D+00  0.235753D+01
               241           242           243 
      1  -0.507231D+02 -0.279479D+01  0.192377D+02
      2   0.240200D+02  0.122294D+01 -0.107740D+02
      3   0.267031D+02  0.157185D+01 -0.846370D+01
      4  -0.524202D+01 -0.733662D+01  0.462519D+00
      5   0.222161D+02 -0.790520D-01 -0.166181D+02
      6   0.247904D+01  0.178911D+01 -0.243406D+01
 Leave Link  716 at Fri Aug 13 12:43:59 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172704D+03  0.550529D+01  0.316347D+01
      2   0.550529D+01  0.110219D+03  0.299819D+01
      3   0.316347D+01  0.299819D+01  0.113962D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.751522D+01 -0.875668D+01  0.539555D+01
      2   0.328981D+02 -0.918422D+01  0.466753D+01
      3   0.243950D+02 -0.411591D+02  0.148112D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.778540D+02 -0.271247D+02 -0.177781D+01
      2   0.681419D+02  0.488574D+01  0.926166D+01
      3   0.971210D+01  0.222389D+02 -0.748385D+01
      4  -0.390039D+02  0.956631D+02 -0.264374D+02
      5  -0.333482D+02 -0.290174D+02  0.653187D+01
      6  -0.123103D+02 -0.195038D+02 -0.121322D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.301365D+01  0.218945D+01 -0.391307D+01  0.141963D+01  0.359561D+00
      2   0.218945D+01  0.218456D+00  0.390739D+01  0.359561D+00  0.263961D+01
      3  -0.391307D+01  0.390739D+01  0.174155D+00  0.390015D+01  0.182803D+01
                 6             7             8             9            10 
      1   0.390015D+01 -0.420623D+01  0.391662D+01  0.316794D+00  0.210153D+02
      2   0.182803D+01  0.391662D+01  0.232318D+01 -0.522933D-01 -0.349288D+01
      3  -0.913993D+00  0.316794D+00 -0.522933D-01 -0.181337D+01  0.405809D+01
                11            12            13            14            15 
      1  -0.349288D+01  0.405809D+01 -0.820594D+01  0.218158D+01 -0.434186D+01
      2   0.623440D+00 -0.352617D+01  0.218158D+01 -0.412446D+01 -0.298630D+01
      3  -0.352617D+01 -0.711018D+00 -0.434186D+01 -0.298630D+01 -0.124151D+00
                16            17            18            19            20 
      1   0.163380D+02 -0.470678D+01  0.134076D+00 -0.433394D+02 -0.774925D+00
      2  -0.470678D+01 -0.268363D+01 -0.193238D-01 -0.774925D+00 -0.439308D+01
      3   0.134076D+00 -0.193238D-01  0.822405D+00 -0.204840D+01  0.105571D+01
                21            22            23            24            25 
      1  -0.204840D+01  0.486629D+01 -0.939502D+01  0.214568D+01 -0.636748D+01
      2   0.105571D+01 -0.939502D+01 -0.138681D+01 -0.879367D+00  0.193394D+01
      3   0.692081D-01  0.214568D+01 -0.879367D+00  0.225645D+01  0.382302D+00
                26            27            28            29            30 
      1   0.193394D+01  0.382302D+00  0.641483D+02  0.394327D+01  0.748130D+00
      2  -0.145836D+01  0.224415D+01  0.394327D+01  0.346951D+01 -0.621949D+00
      3   0.224415D+01  0.458001D+01  0.748130D+00 -0.621949D+00  0.158810D+01
                31            32            33            34            35 
      1   0.111542D+02  0.711004D+01 -0.179657D+01  0.926749D+01 -0.628732D+00
      2   0.711004D+01  0.308985D+01 -0.188376D+00 -0.628732D+00  0.113814D+01
      3  -0.179657D+01 -0.188376D+00 -0.111274D+01  0.183295D+01 -0.158503D+01
                36            37            38            39            40 
      1   0.183295D+01 -0.579272D+02 -0.349225D+01  0.275129D+01 -0.123198D+02
      2  -0.158503D+01 -0.349225D+01 -0.202131D+01  0.897848D+00 -0.513563D+01
      3  -0.309738D+01  0.275129D+01  0.897848D+00 -0.119002D+01  0.136085D+01
                41            42            43            44            45 
      1  -0.513563D+01  0.136085D+01 -0.119298D+02 -0.564814D+00 -0.402658D+01
      2  -0.245084D+01 -0.797581D+00 -0.564814D+00 -0.191268D+01  0.170361D+01
      3  -0.797581D+00  0.180984D+01 -0.402658D+01  0.170361D+01  0.249955D+01
                46            47            48            49            50 
      1   0.180138D+02  0.118006D+01 -0.290183D+01 -0.441325D+01 -0.716602D+00
      2   0.118006D+01 -0.111783D+01  0.172142D+00 -0.716602D+00 -0.613870D+00
      3  -0.290183D+01  0.172142D+00 -0.679966D+00  0.296425D+01 -0.846988D+00
                51            52            53            54            55 
      1   0.296425D+01 -0.243556D+02  0.914727D+00  0.881725D+01 -0.485040D+01
      2  -0.846988D+00  0.914727D+00  0.526657D+00 -0.847393D+00  0.572318D+00
      3  -0.150059D+01  0.881725D+01 -0.847393D+00 -0.598893D+01  0.256442D+01
                56            57            58            59            60 
      1   0.572318D+00  0.256442D+01  0.759350D+01 -0.175069D+01 -0.277081D+01
      2  -0.227254D+00 -0.481833D+00 -0.175069D+01  0.177630D+01  0.293614D+01
      3  -0.481833D+00 -0.103652D+01 -0.277081D+01  0.293614D+01  0.157033D+01
                61            62            63            64            65 
      1   0.248540D+02 -0.330918D+00 -0.997234D+01 -0.717306D+01  0.212446D+01
      2  -0.330918D+00  0.128546D+01  0.120598D+01  0.212446D+01  0.197348D-01
      3  -0.997234D+01  0.120598D+01  0.111011D+02 -0.273423D+01  0.405361D+01
                66            67            68            69            70 
      1  -0.273423D+01  0.237146D+01 -0.100093D+01  0.401877D+01 -0.736467D+01
      2   0.405361D+01 -0.100093D+01  0.175074D+01  0.358731D+01  0.420831D+01
      3   0.105846D+01  0.401877D+01  0.358731D+01 -0.989701D+00 -0.169830D-01
                71            72            73            74            75 
      1   0.420831D+01 -0.169830D-01 -0.659801D+01 -0.168091D+01 -0.148731D+01
      2   0.321489D+01 -0.270628D+00 -0.168091D+01  0.206504D+01 -0.498382D+00
      3  -0.270628D+00  0.133098D+01 -0.148731D+01 -0.498382D+00  0.271322D+01
                76            77            78            79            80 
      1  -0.179675D+01  0.269467D+01 -0.766073D+00  0.621693D+00 -0.201788D+00
      2   0.269467D+01  0.508397D+01  0.331372D+01 -0.201788D+00  0.311049D+01
      3  -0.766073D+00  0.331372D+01 -0.961309D+00  0.241541D+01 -0.175289D+01
                81            82            83            84            85 
      1   0.241541D+01  0.713348D+01  0.278108D+01  0.726694D+00  0.599337D+01
      2  -0.175289D+01  0.278108D+01  0.414592D+01  0.315377D+01  0.591935D+01
      3  -0.323082D+01  0.726694D+00  0.315377D+01 -0.289507D+01  0.241098D+01
                86            87            88            89            90 
      1   0.591935D+01  0.241098D+01  0.797610D+01  0.558363D+01 -0.347910D+01
      2  -0.164492D+01 -0.461053D-01  0.558363D+01 -0.745160D-01 -0.258058D+00
      3  -0.461053D-01  0.246354D+00 -0.347910D+01 -0.258058D+00  0.582499D+00
                91            92            93            94            95 
      1   0.100692D+01 -0.150412D+01 -0.482133D+01 -0.265945D+01  0.347662D+00
      2  -0.150412D+01 -0.992132D+00 -0.113808D+01  0.347662D+00  0.395311D+01
      3  -0.482133D+01 -0.113808D+01  0.115702D+01 -0.109987D+01  0.359471D+01
                96            97            98            99           100 
      1  -0.109987D+01 -0.786015D+01 -0.113305D+01  0.336130D+01  0.114078D+02
      2   0.359471D+01 -0.113305D+01  0.295352D+01 -0.107323D+01  0.232151D+01
      3  -0.154658D+01  0.336130D+01 -0.107323D+01  0.382927D+01  0.243250D+01
               101           102           103           104           105 
      1   0.232151D+01  0.243250D+01  0.101824D+01  0.142785D+01  0.277149D+00
      2   0.184315D+01  0.590280D+00  0.142785D+01  0.559430D+00  0.155239D+00
      3   0.590280D+00  0.148023D+01  0.277149D+00  0.155239D+00  0.246057D+00
               106           107           108           109           110 
      1   0.356180D+00  0.174349D+00  0.107415D+01 -0.102306D+00  0.422679D+00
      2   0.174349D+00 -0.223366D+00  0.496318D+00  0.422679D+00 -0.883373D+00
      3   0.107415D+01  0.496318D+00  0.102285D+01  0.920598D+00 -0.282232D+00
               111           112           113           114           115 
      1   0.920598D+00  0.181885D+00 -0.125094D+00  0.973412D-01  0.104644D+01
      2  -0.282232D+00 -0.125094D+00  0.438360D+00  0.740886D+00  0.949469D-01
      3  -0.202079D+01  0.973412D-01  0.740886D+00  0.945259D+00  0.612139D-01
               116           117           118           119           120 
      1   0.949469D-01  0.612139D-01 -0.324425D+00 -0.353822D+00 -0.761620D+00
      2   0.168029D+01  0.168591D+01 -0.353822D+00  0.268127D+00 -0.113129D+00
      3   0.168591D+01  0.789018D+01 -0.761620D+00 -0.113129D+00 -0.331456D+00
               121           122           123           124           125 
      1  -0.179765D+01  0.375872D+00 -0.287556D-01 -0.133760D+01 -0.225684D-02
      2   0.375872D+00 -0.495579D+00 -0.104670D+01 -0.225684D-02 -0.116509D+01
      3  -0.287556D-01 -0.104670D+01 -0.134680D+01  0.966843D-01 -0.808034D+00
               126           127           128           129           130 
      1   0.966843D-01 -0.189295D+01  0.152287D+01  0.547474D-01  0.859962D-01
      2  -0.808034D+00  0.152287D+01 -0.415264D+01 -0.570003D+00 -0.168644D+01
      3  -0.730007D+01  0.547474D-01 -0.570003D+00 -0.339303D+00 -0.382698D+00
               131           132           133           134           135 
      1  -0.168644D+01 -0.382698D+00  0.233817D+00 -0.737621D+00  0.187904D+00
      2   0.815974D+01  0.647369D+00 -0.737621D+00  0.221754D+01  0.131199D+01
      3   0.647369D+00  0.944190D+00  0.187904D+00  0.131199D+01  0.558116D+00
               136           137           138           139           140 
      1   0.280936D+01  0.157290D+01 -0.181034D+01 -0.940450D-01  0.111645D+01
      2   0.157290D+01  0.170013D+01 -0.148179D+01  0.111645D+01  0.255323D+01
      3  -0.181034D+01 -0.148179D+01  0.229385D+01 -0.107618D+01 -0.156708D+01
               141           142           143           144           145 
      1  -0.107618D+01 -0.459159D+01 -0.256665D+01  0.273465D+01 -0.287457D+01
      2  -0.156708D+01 -0.256665D+01 -0.300442D+01  0.250572D+01  0.374968D+00
      3   0.137142D+01  0.273465D+01  0.250572D+01 -0.427144D+01  0.187052D+01
               146           147           148           149           150 
      1   0.374968D+00  0.187052D+01  0.135499D+01 -0.829450D+00 -0.629254D+00
      2  -0.106141D+01 -0.177854D+00 -0.829450D+00  0.603123D+00  0.229082D+00
      3  -0.177854D+00 -0.243034D+01 -0.629254D+00  0.229082D+00  0.132702D+01
               151           152           153           154           155 
      1   0.185014D+01 -0.519773D+00 -0.188728D+01  0.551771D+01 -0.280637D+01
      2  -0.519773D+00  0.768720D+00 -0.756358D-02 -0.280637D+01  0.294264D+01
      3  -0.188728D+01 -0.756358D-02  0.427825D+01  0.297036D+01 -0.219086D+01
               156           157           158           159           160 
      1   0.297036D+01 -0.155521D+01  0.181423D+01 -0.137254D+01  0.200593D+01
      2  -0.219086D+01  0.181423D+01 -0.278768D+01  0.144601D+01 -0.168738D+01
      3   0.283864D+01 -0.137254D+01  0.144601D+01 -0.127325D+01  0.207401D+01
               161           162           163           164           165 
      1  -0.168738D+01  0.207401D+01 -0.131839D+01 -0.152970D+01 -0.504379D-01
      2   0.146702D+01 -0.184927D+01 -0.152970D+01 -0.250088D+01 -0.589342D+00
      3  -0.184927D+01  0.311060D+01 -0.504379D-01 -0.589342D+00 -0.676060D+00
               166           167           168           169           170 
      1  -0.123525D+01 -0.141575D+01 -0.551235D+00 -0.607599D+00 -0.847667D+00
      2  -0.141575D+01 -0.631824D+01 -0.789290D+00 -0.847667D+00 -0.299345D+01
      3  -0.551235D+00 -0.789290D+00 -0.120472D+01 -0.448208D+00 -0.101209D+01
               171           172           173           174           175 
      1  -0.448208D+00  0.265921D+01  0.753166D+00 -0.125024D+01  0.210857D+01
      2  -0.101209D+01  0.753166D+00  0.749893D+00 -0.101075D+01  0.955322D+00
      3  -0.105409D+01 -0.125024D+01 -0.101075D+01  0.133432D+01 -0.191978D+01
               176           177           178           179           180 
      1   0.955322D+00 -0.191978D+01 -0.153483D+01 -0.110080D+01  0.208671D+01
      2   0.252962D+01 -0.181580D+01 -0.110080D+01 -0.185724D+01  0.148930D+01
      3  -0.181580D+01  0.267529D+01  0.208671D+01  0.148930D+01 -0.398598D+01
               181           182           183           184           185 
      1  -0.341496D+00 -0.730102D+00 -0.194048D+00 -0.135930D+01  0.265587D+00
      2  -0.730102D+00 -0.189892D+01 -0.140365D+01  0.265587D+00 -0.516818D+01
      3  -0.194048D+00 -0.140365D+01 -0.151369D+01 -0.130400D+00 -0.295339D+01
               186           187           188           189           190 
      1  -0.130400D+00 -0.314865D+00 -0.297649D+00  0.135161D+00  0.867299D+01
      2  -0.295339D+01 -0.297649D+00 -0.280445D+01 -0.228091D+01 -0.323463D+01
      3  -0.242977D+01  0.135161D+00 -0.228091D+01 -0.312257D+01  0.115919D+01
               191           192           193           194           195 
      1  -0.323463D+01  0.115919D+01 -0.283231D+01  0.237530D+01 -0.649490D+00
      2   0.201208D+01 -0.701907D+00  0.237530D+01 -0.209527D+01  0.505561D-01
      3  -0.701907D+00  0.126213D+01 -0.649490D+00  0.505561D-01 -0.539770D+00
               196           197           198           199           200 
      1   0.520258D+01 -0.187983D+01  0.131849D+01  0.152174D+01  0.571726D+00
      2  -0.187983D+01  0.109290D+01 -0.606195D+00  0.571726D+00 -0.370543D-02
      3   0.131849D+01 -0.606195D+00  0.117512D+01  0.813601D+00 -0.205121D-01
               201           202           203           204           205 
      1   0.813601D+00  0.147003D+01 -0.988189D+00  0.250698D+00  0.192282D+01
      2  -0.205121D-01 -0.988189D+00  0.653163D+00  0.107871D+01  0.595386D+00
      3  -0.105949D+00  0.250698D+00  0.107871D+01  0.113018D+01  0.516492D+00
               206           207           208           209           210 
      1   0.595386D+00  0.516492D+00 -0.141341D+01 -0.622085D+00 -0.119681D+01
      2   0.135938D+01  0.115138D+01 -0.622085D+00 -0.722870D-01 -0.985202D-01
      3   0.115138D+01  0.454679D+01 -0.119681D+01 -0.985202D-01  0.180417D+00
               211           212           213           214           215 
      1  -0.968475D+00  0.286130D+00 -0.717789D+00 -0.183002D+01 -0.548537D+00
      2   0.286130D+00 -0.509496D+00 -0.845929D+00 -0.548537D+00 -0.118181D+01
      3  -0.717789D+00 -0.845929D+00 -0.174859D+01 -0.961705D+00 -0.161611D+01
               216           217           218           219           220 
      1  -0.961705D+00 -0.964910D+00 -0.559698D+00  0.393395D+00 -0.338758D+01
      2  -0.161611D+01 -0.559698D+00  0.605117D+00  0.398593D+00 -0.193082D+01
      3  -0.649273D+01  0.393395D+00  0.398593D+00  0.261297D+00 -0.828980D+00
               221           222           223           224           225 
      1  -0.193082D+01 -0.828980D+00 -0.120094D+01 -0.461565D+00 -0.137587D+01
      2  -0.741200D+01 -0.271919D+01 -0.461565D+00 -0.217440D+01 -0.152112D+01
      3  -0.271919D+01 -0.201962D+01 -0.137587D+01 -0.152112D+01 -0.228018D+01
               226           227           228           229           230 
      1  -0.259015D+01  0.746280D+00 -0.548321D+00  0.249502D+01 -0.115142D+01
      2   0.746280D+00 -0.279351D+00  0.504082D+00 -0.115142D+01  0.156846D+01
      3  -0.548321D+00  0.504082D+00 -0.788904D+00  0.152179D+01 -0.220159D+01
               231           232           233           234           235 
      1   0.152179D+01 -0.353074D+01  0.364541D+00 -0.322991D+01 -0.918234D+01
      2  -0.220159D+01  0.364541D+00 -0.226991D+01  0.174217D+01 -0.295238D+00
      3   0.295407D+01 -0.322991D+01  0.174217D+01 -0.632189D+01  0.225446D+01
               236           237           238           239           240 
      1  -0.295238D+00  0.225446D+01  0.511750D+00 -0.110357D+01  0.114638D+00
      2  -0.105906D+01  0.173541D+00 -0.110357D+01 -0.351365D+00  0.759215D-01
      3   0.173541D+00 -0.169196D+01  0.114638D+00  0.759215D-01  0.235120D+00
               241           242           243 
      1   0.535690D+01  0.429379D+00 -0.214757D+01
      2   0.429379D+00  0.665125D+00  0.236066D-01
      3  -0.214757D+01  0.236066D-01  0.163171D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.528054D+01  0.890744D+01  0.631699D+01  0.843405D+01  0.901313D+01
      2  -0.720160D+01  0.199591D+01  0.742751D+01  0.620789D+01  0.193775D+01
      3  -0.320866D+01 -0.847682D+01  0.149140D+01 -0.697869D+00 -0.509952D+01
                 6             7             8             9            10 
      1  -0.114002D+01  0.632473D+01  0.575238D+01 -0.476007D+01  0.629354D+01
      2  -0.662079D+01  0.342484D+01 -0.625314D+01 -0.361739D+01  0.195620D+02
      3  -0.106120D+02  0.323914D+00 -0.124224D+02 -0.793582D+00  0.103930D+02
                11            12            13            14            15 
      1  -0.547409D+01 -0.452856D+00 -0.894620D+01 -0.527886D+01 -0.527567D+01
      2  -0.908544D+01  0.238052D+01 -0.134018D+02 -0.444973D+01 -0.655336D+00
      3  -0.294479D+01  0.763220D+01  0.655536D+01  0.103751D+02  0.110224D+02
                16            17            18            19            20 
      1   0.414595D+01  0.353286D+01 -0.507809D+00 -0.287438D+00  0.367421D+01
      2   0.366655D+01  0.134927D+00  0.244274D+01 -0.308434D+02 -0.109510D+01
      3   0.107635D+02  0.115207D+02  0.344219D+00 -0.187135D+02 -0.421033D+01
                21            22            23            24            25 
      1  -0.130129D+01  0.141848D+02  0.433726D+01 -0.142697D+01 -0.500710D+01
      2   0.158577D+01  0.203680D+01 -0.697791D+01  0.372784D+01 -0.154886D+02
      3  -0.227883D+01  0.460273D+01 -0.734112D+01  0.280075D+01 -0.391482D+01
                26            27            28            29            30 
      1   0.502843D+01 -0.379767D+01 -0.539438D+01 -0.168170D+00  0.975557D-01
      2   0.227343D+01  0.210141D+01  0.408037D+02  0.475284D+01 -0.417923D+01
      3   0.521898D+00 -0.953443D+00  0.187668D+02  0.912280D+01 -0.113653D+01
                31            32            33            34            35 
      1  -0.336821D+01 -0.270718D+01 -0.291946D+01  0.171016D+01 -0.241581D+00
      2   0.122128D+02  0.362499D+01 -0.125011D+01 -0.140035D+02 -0.119794D+01
      3   0.356761D+02  0.756043D+01  0.450849D+00 -0.965348D+00 -0.502227D+00
                36            37            38            39            40 
      1   0.318746D+01  0.377232D+01  0.133413D+01 -0.764190D+00  0.742873D+01
      2   0.133267D+01 -0.463483D+02 -0.384711D+01  0.130961D+02 -0.132408D+02
      3  -0.200838D+00 -0.157552D+02 -0.115226D+02  0.152887D+01 -0.953866D+01
                41            42            43            44            45 
      1   0.971875D+00 -0.481267D+01  0.215664D+01  0.294090D+00  0.780416D+00
      2  -0.262918D+01 -0.112790D+01 -0.139523D+02 -0.371894D+01 -0.607275D+01
      3  -0.618093D+01 -0.121780D+01  0.711805D-03 -0.133829D+00  0.115048D+01
                46            47            48            49            50 
      1   0.109153D-01 -0.201703D+01  0.242044D+01  0.558464D+01 -0.371178D+01
      2   0.103982D+02  0.243382D+01 -0.475932D+01 -0.588207D+01  0.243663D+01
      3   0.748717D+00  0.120471D+02 -0.397746D+01  0.246329D+02  0.175273D+01
                51            52            53            54            55 
      1  -0.725759D+01  0.262694D+01 -0.396735D+01  0.220984D+01 -0.130339D+01
      2   0.606807D+01 -0.507483D+02  0.217535D+00  0.287111D+02 -0.148714D+01
      3  -0.207677D+01 -0.537334D+01 -0.789443D+01 -0.146378D+01  0.296318D+00
                56            57            58            59            60 
      1   0.517525D+00 -0.547913D+00  0.604540D-01  0.271863D+01 -0.149338D+01
      2   0.147706D+01  0.749008D+01  0.870938D+01 -0.881041D+01 -0.796252D+01
      3  -0.715347D+01 -0.399426D+00 -0.677742D+01  0.568495D+01  0.807220D+01
                61            62            63            64            65 
      1  -0.153092D+01  0.896115D+01 -0.367765D+00 -0.512308D+01  0.555546D+01
      2   0.305396D+02 -0.378350D+01 -0.447410D+02 -0.152403D+02  0.158616D+02
      3   0.467545D+01  0.119064D+02  0.274016D+01 -0.132621D+01 -0.436864D+01
                66            67            68            69            70 
      1  -0.467452D+01  0.787389D+01  0.274485D+01 -0.767166D+01 -0.753226D+01
      2   0.212488D+01  0.151787D+02  0.117734D+02  0.180524D+01 -0.996772D+01
      3  -0.111124D+02  0.549660D+01 -0.594085D+01 -0.181079D+02 -0.121474D+02
                71            72            73            74            75 
      1  -0.180886D+01  0.348471D+01 -0.179531D+01  0.568386D+01 -0.505207D+01
      2   0.472638D+01  0.644658D+01  0.759090D+01  0.195801D+01  0.125912D+02
      3  -0.165117D+02  0.124417D+01 -0.159796D+01 -0.130443D+02  0.797671D+00
                76            77            78            79            80 
      1   0.249884D+01  0.107174D+01  0.491144D+01 -0.422722D+01  0.955798D+01
      2   0.323836D+00  0.641499D+01 -0.315212D+01  0.477265D+01 -0.554565D+01
      3  -0.662851D+01 -0.115012D+02 -0.123188D+02  0.240434D+01 -0.114785D+02
                81            82            83            84            85 
      1   0.140726D+01 -0.378173D+01 -0.128411D+02  0.734966D+01 -0.153263D+02
      2  -0.134840D+02  0.753309D+01  0.705500D+01 -0.299639D+01  0.863523D+01
      3   0.928538D+01  0.166112D+01 -0.672017D+01 -0.565449D+01  0.668661D+01
                86            87            88            89            90 
      1   0.605853D+00 -0.378594D+01  0.509775D+01  0.227347D+01 -0.421171D+00
      2   0.431057D+01  0.223688D+01 -0.300765D+01  0.292286D+01 -0.162470D+01
      3   0.143859D+02  0.716098D+01 -0.931444D+00  0.131788D+02 -0.879466D+01
                91            92            93            94            95 
      1  -0.454928D+00  0.216423D+01  0.124241D+01 -0.586487D+01 -0.259445D+01
      2   0.195643D+02  0.308411D+01 -0.496537D+01  0.356093D+01 -0.156349D+02
      3  -0.719904D+01 -0.101906D+02 -0.283914D+01  0.123722D+02  0.188256D+02
                96            97            98            99           100 
      1  -0.819326D+01  0.460239D+01 -0.126922D+01  0.372030D+01 -0.863261D+00
      2   0.727928D+01 -0.237965D+02  0.351689D+01 -0.137912D+02 -0.458250D+01
      3   0.202701D+02 -0.434655D+01  0.120034D+02 -0.721759D+01  0.665135D+01
               101           102           103           104           105 
      1   0.204624D+01 -0.179563D+01  0.266934D+00  0.160247D+00 -0.137657D+01
      2  -0.219046D+00  0.543012D+01 -0.646114D+00 -0.745376D+00  0.709277D+00
      3  -0.671654D+01  0.913825D+00 -0.432414D+00 -0.152194D+00  0.589396D+00
               106           107           108           109           110 
      1  -0.880898D+00  0.771014D-01 -0.670054D+00 -0.670151D+00 -0.185697D+01
      2   0.114762D+01  0.991174D+00  0.228744D+01  0.382754D+01 -0.118364D+01
      3   0.176004D+00  0.678801D+00 -0.187134D+00 -0.162413D+01  0.210801D+01
               111           112           113           114           115 
      1   0.232428D+01 -0.869400D+00 -0.642260D+00 -0.159512D+01  0.339883D+00
      2  -0.631707D+01 -0.463801D+00  0.267262D+01  0.249058D+01 -0.530320D+01
      3   0.177244D+01  0.221522D+01 -0.873350D+00 -0.166942D+01  0.174301D+01
               116           117           118           119           120 
      1   0.272132D+01 -0.741689D+01  0.100154D+01  0.501847D+00  0.163316D+00
      2   0.428602D+01  0.223501D+02 -0.229745D+01 -0.468808D+00  0.481499D+00
      3  -0.366652D+01 -0.465268D+01  0.316328D+00 -0.125838D+01 -0.434292D+00
               121           122           123           124           125 
      1   0.744107D+00  0.159071D+01  0.319980D+00 -0.860141D-01  0.488000D+01
      2  -0.151469D+01 -0.499809D+00 -0.145359D+01 -0.445112D+01 -0.516167D+00
      3   0.254023D+01  0.356673D+00  0.651445D+00 -0.525053D+00  0.217186D+00
               126           127           128           129           130 
      1   0.363021D+01 -0.687402D+00  0.310298D+01  0.228386D+01  0.147708D+01
      2  -0.670201D+01 -0.508287D+00 -0.678941D+00  0.352441D+00 -0.154197D+01
      3   0.692816D+00 -0.840048D+01  0.913543D+01  0.118778D+01  0.859437D+01
               131           132           133           134           135 
      1  -0.461234D+01 -0.525891D+01 -0.810094D-03 -0.253125D+01 -0.244230D+01
      2   0.361342D+00  0.435113D+00 -0.908160D+00  0.178366D+01  0.983465D+00
      3  -0.175565D+02 -0.181255D+01  0.286897D+01 -0.570415D+01 -0.194663D+01
               136           137           138           139           140 
      1   0.346493D+01  0.187933D+01 -0.549431D+01  0.220222D+01  0.195842D+01
      2  -0.763324D+00 -0.179451D+01  0.471607D+01 -0.192853D+01 -0.216296D+01
      3   0.357805D+01 -0.235201D+01 -0.939289D+00  0.164751D+00 -0.317526D+01
               141           142           143           144           145 
      1  -0.319627D+01 -0.470318D+01 -0.112306D+01  0.935167D+01  0.565354D+01
      2   0.251731D+01 -0.720013D-01  0.294251D+01 -0.619786D+01  0.102715D+02
      3   0.488940D+00 -0.411236D+01  0.156212D+01  0.894144D+00  0.574226D+01
               146           147           148           149           150 
      1  -0.398867D+01 -0.475360D+01 -0.381013D+01  0.286023D+01  0.139918D+01
      2  -0.142939D+01 -0.515756D+01 -0.448766D+01  0.183962D+01  0.275472D+01
      3  -0.502559D+00 -0.343114D+01  0.281443D+00  0.670376D+00  0.103913D+01
               151           152           153           154           155 
      1  -0.501779D+01  0.354941D+01  0.733171D+01  0.178346D+01  0.495578D+00
      2  -0.856260D+01  0.110214D+01  0.848751D+01 -0.238306D+01 -0.107981D+01
      3  -0.355520D+01  0.128532D+01  0.397324D+01 -0.461488D+01 -0.284172D+01
               156           157           158           159           160 
      1   0.333574D+01 -0.214797D+00 -0.123850D+01 -0.218798D+01  0.128319D+01
      2   0.368052D+01  0.183095D+01  0.471473D+00 -0.717450D+00 -0.185211D+01
      3  -0.483377D+00  0.230910D+01  0.271041D+01  0.251396D+00 -0.270381D+01
               161           162           163           164           165 
      1   0.239295D+00  0.385897D+01 -0.233264D+01 -0.453323D+01 -0.342554D+01
      2  -0.716203D+00  0.365029D+01  0.182624D+01  0.141187D+01  0.167174D+00
      3  -0.519687D-01 -0.319847D+00  0.763793D+01  0.619776D+01  0.145433D+01
               166           167           168           169           170 
      1  -0.321852D+01 -0.936025D+01 -0.591797D+01 -0.227441D+01 -0.389118D+01
      2   0.100384D+01  0.179371D+01  0.709854D-01 -0.113329D+01  0.825154D-01
      3   0.754268D+01  0.134500D+02  0.246010D+01  0.407561D+01  0.697404D+01
               171           172           173           174           175 
      1  -0.456827D+01 -0.241756D+01 -0.256257D+01  0.251428D+01 -0.255460D+01
      2  -0.261867D+00 -0.127501D+01 -0.240301D+01  0.424019D+01 -0.272914D+01
      3   0.290983D+01 -0.392378D+01 -0.423852D+01  0.462249D+01 -0.314189D+01
               176           177           178           179           180 
      1  -0.734099D+01  0.374529D+01  0.343976D+01  0.631050D+01 -0.539913D+01
      2  -0.531495D+01  0.753480D+01  0.292707D+01  0.392009D+01 -0.112500D+02
      3  -0.109236D+02  0.747533D+01  0.455454D+01  0.818424D+01 -0.670786D+01
               181           182           183           184           185 
      1   0.644560D+00  0.683761D+00 -0.113651D+01 -0.734586D-02  0.266003D+01
      2  -0.250745D+01 -0.533300D+01 -0.401237D+01 -0.323772D+01 -0.100493D+02
      3   0.451513D+01  0.606260D+01  0.473910D+01  0.330556D+01  0.166494D+02
               186           187           188           189           190 
      1  -0.231127D+01  0.606991D+00  0.209818D+01 -0.250684D+01  0.476866D+01
      2  -0.832993D+01 -0.196268D+01 -0.813057D+01 -0.991475D+01  0.114738D+02
      3   0.101180D+02  0.273940D+01  0.101656D+02  0.790345D+01  0.327277D+00
               191           192           193           194           195 
      1  -0.268370D+01  0.333846D+01 -0.290316D+01  0.173868D+01 -0.193632D+01
      2  -0.554461D+01  0.844830D+01 -0.491936D+01  0.216853D+01 -0.367005D+01
      3  -0.614271D+01  0.106692D+01 -0.272316D+01  0.532162D+01  0.659638D+00
               196           197           198           199           200 
      1   0.291947D+01 -0.432618D+00  0.242215D+01  0.369633D+00 -0.500601D+00
      2   0.669832D+01 -0.325815D+01  0.624208D+01  0.407635D+00  0.189928D+00
      3   0.191393D+01 -0.263428D+01  0.562622D+00  0.130732D+01 -0.136254D-01
               201           202           203           204           205 
      1   0.108566D+00 -0.454908D+01 -0.931289D-02 -0.117223D+01  0.626701D+00
      2  -0.429490D+00 -0.170170D+01 -0.195107D+01 -0.763606D-01 -0.380515D+01
      3   0.416556D+00  0.949454D+00  0.412795D+00  0.902481D+00  0.205008D+01
               206           207           208           209           210 
      1   0.290129D+01 -0.348894D+01  0.154714D+01  0.216303D-01  0.848077D-01
      2   0.593016D+00 -0.277478D+01  0.121653D+01 -0.309940D+00 -0.643332D+00
      3   0.151211D+01 -0.297307D-01 -0.280958D+01 -0.797078D+00 -0.194924D+00
               211           212           213           214           215 
      1  -0.586272D+01  0.470782D+00 -0.122806D+00  0.191260D+01  0.449447D+01
      2   0.145883D+01  0.173745D+01  0.266670D+01 -0.311430D+01  0.249708D+01
      3   0.934122D+01  0.707958D-02 -0.163269D+01 -0.286926D+01 -0.286181D+01
               216           217           218           219           220 
      1   0.408425D+00 -0.122979D+00 -0.657799D+00 -0.196113D+00  0.196362D+01
      2   0.105786D+02 -0.112868D+01 -0.191354D+01  0.528502D+00 -0.720436D+00
      3  -0.324365D+01  0.140735D+00  0.306651D+01  0.214922D+01 -0.674579D+01
               221           222           223           224           225 
      1   0.578421D+01 -0.334645D+00  0.642790D-01  0.227980D+01 -0.317677D-01
      2   0.981841D+01  0.774925D+01  0.340147D+01  0.584964D+01  0.795374D+01
      3  -0.329567D+02 -0.127113D+02 -0.106856D+01 -0.954175D+01 -0.660832D+01
               226           227           228           229           230 
      1  -0.379803D+00  0.621696D+00 -0.848371D+00  0.230558D+01 -0.302982D+01
      2  -0.133366D+00 -0.142566D+01  0.405094D+01 -0.430705D+01  0.859101D+01
      3   0.173678D+01 -0.282981D+01  0.209801D+01 -0.745502D+01  0.720402D+01
               231           232           233           234           235 
      1   0.253926D+01 -0.262575D+01  0.455550D+01 -0.466966D+01  0.158435D+01
      2  -0.121628D+02  0.893950D+01 -0.739000D+01  0.246921D+02 -0.161930D+02
      3  -0.110746D+02  0.457230D+01 -0.993758D+01  0.104623D+02  0.260260D+01
               236           237           238           239           240 
      1   0.939869D-01 -0.113746D+01  0.887840D+00  0.341713D+00 -0.515896D+00
      2  -0.911201D+00  0.116559D+02 -0.436379D+00 -0.726789D+00 -0.867130D+00
      3  -0.653219D+01 -0.488917D+00 -0.275706D+01 -0.909352D+00  0.401790D+00
               241           242           243 
      1  -0.121934D+01  0.874604D+00  0.754605D+00
      2   0.102427D+02 -0.860640D-01 -0.940851D+01
      3  -0.348537D+00  0.363060D+01  0.956965D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.748962D+01  0.701289D+01 -0.629960D+01  0.256644D+01  0.242374D+01
      2  -0.134881D+01 -0.165355D+02 -0.873557D+01 -0.114826D+02 -0.132650D+02
      3  -0.614081D+01  0.952262D+01  0.150352D+02  0.891618D+01  0.108413D+02
      4   0.146055D+02 -0.969891D+01  0.231447D+02 -0.637439D+01  0.643147D+01
      5  -0.185071D+02  0.193049D+02 -0.910882D+01  0.189643D+02  0.362197D+01
      6   0.143327D+02 -0.162442D+02  0.829454D+01 -0.111916D+02 -0.755831D+01
                 6             7             8             9            10 
      1   0.218263D+02 -0.623701D+01  0.218896D+02  0.150254D+01 -0.914716D+00
      2  -0.164412D+02 -0.996481D+01 -0.188925D+02  0.409401D+01  0.100251D+02
      3  -0.538514D+01  0.162018D+02 -0.299709D+01 -0.559654D+01 -0.911039D+01
      4  -0.643664D+01  0.239288D+02 -0.893290D+01  0.244654D+01 -0.151095D+02
      5   0.528594D+01 -0.829863D+01  0.840759D+01 -0.597351D+01  0.147675D+02
      6   0.417105D+01  0.708951D+01  0.255825D+01  0.183769D+01 -0.113065D+02
                11            12            13            14            15 
      1  -0.402896D+01  0.728155D+01 -0.790082D+01 -0.768963D+01 -0.227737D+02
      2   0.318875D+01 -0.742699D-02  0.351856D+01  0.118247D+02  0.106097D+02
      3   0.840210D+00 -0.727412D+01  0.438226D+01 -0.413511D+01  0.121640D+02
      4   0.361881D+01 -0.199153D+02  0.646192D+01 -0.239111D+02 -0.881081D+01
      5  -0.172378D+02 -0.737470D+01 -0.199110D+02 -0.175599D+02  0.587672D+00
      6   0.972493D+01 -0.153566D+01 -0.173322D+01  0.179584D+01 -0.777651D+01
                16            17            18            19            20 
      1   0.641866D+01 -0.210110D+02 -0.697284D+01  0.420246D+02  0.887503D+01
      2   0.704746D+01  0.124800D+02 -0.146620D+01 -0.445203D+02 -0.129672D+02
      3  -0.134661D+02  0.853104D+01  0.843904D+01  0.249568D+01  0.409217D+01
      4  -0.283382D+02 -0.339358D+01  0.710813D+00 -0.782365D-01 -0.122487D+02
      5  -0.877243D+01  0.409930D+00  0.394174D+01  0.511355D+01  0.301613D+01
      6  -0.170706D+01 -0.480549D+01 -0.225117D+00  0.760050D+01 -0.199425D+01
                21            22            23            24            25 
      1   0.308895D+01  0.198630D+02  0.499808D+01  0.561112D+01  0.233746D+01
      2  -0.219406D+01 -0.196132D+02 -0.130024D+02  0.161266D+01 -0.634806D+01
      3  -0.894887D+00 -0.249808D+00  0.800431D+01 -0.722378D+01  0.401060D+01
      4   0.424200D+01 -0.347859D+02 -0.520271D+01 -0.274155D+01  0.110953D+02
      5   0.470736D+01  0.241148D+01  0.277595D+01  0.391395D+01  0.522498D+01
      6   0.230329D+01  0.714724D+01  0.490931D+01  0.168718D+01  0.232194D+01
                26            27            28            29            30 
      1   0.883381D+01  0.168663D+02 -0.121787D+03 -0.671784D+01  0.586365D+01
      2  -0.292403D+01  0.648954D+01  0.903131D+02  0.485110D+01 -0.239499D+01
      3  -0.590978D+01 -0.233558D+02  0.314734D+02  0.186674D+01 -0.346866D+01
      4  -0.685219D+01  0.682841D+01  0.432691D+01 -0.110651D+02  0.196036D+01
      5   0.441242D+01  0.635089D+01 -0.682849D+01  0.174531D+01 -0.123049D+02
      6   0.756905D+00 -0.214222D+00 -0.133831D+02 -0.612288D+01  0.159926D+01
                31            32            33            34            35 
      1  -0.301035D+02 -0.240166D+02  0.671837D+01 -0.289087D+02  0.206347D+01
      2   0.254031D+02  0.233822D+02 -0.475141D+01  0.182398D+02 -0.274126D+01
      3   0.470042D+01  0.634396D+00 -0.196697D+01  0.106689D+02  0.677783D+00
      4  -0.347456D+01 -0.708198D+01  0.171147D+01 -0.182929D+01  0.219167D+00
      5  -0.679586D+00 -0.250909D+00 -0.233870D+01  0.226729D-01  0.161347D+01
      6  -0.344504D+01 -0.675335D+01  0.492563D+01 -0.147973D+01 -0.336459D-01
                36            37            38            39            40 
      1  -0.326078D+01  0.147652D+03  0.108917D+02 -0.916007D+01  0.302571D+02
      2  -0.249659D+01 -0.106248D+03 -0.679487D+01  0.610850D+01 -0.157770D+02
      3   0.575738D+01 -0.414041D+02 -0.409687D+01  0.305157D+01 -0.144802D+02
      4   0.171858D+01 -0.395572D+01  0.170742D+02 -0.136337D+01  0.307233D+02
      5   0.231999D+01 -0.807759D+01 -0.270069D+01  0.204808D+02 -0.405044D+01
      6  -0.496447D+01  0.158516D+02  0.610924D+01 -0.315839D+01  0.115870D+02
                41            42            43            44            45 
      1   0.141568D+01  0.257070D+01  0.320418D+02  0.902870D+01  0.127662D+02
      2   0.415396D+01  0.306071D+01 -0.199111D+02 -0.354669D+01 -0.102161D+01
      3  -0.556963D+01 -0.563141D+01 -0.121307D+02 -0.548201D+01 -0.117445D+02
      4   0.662822D+01  0.381955D+01 -0.155635D+01  0.417098D+01 -0.668794D+01
      5   0.405320D+01 -0.444896D+01  0.265958D+02 -0.457665D+01 -0.791420D+01
      6   0.111604D+01  0.519234D+01 -0.247138D+01  0.383232D+01 -0.586157D+01
                46            47            48            49            50 
      1  -0.626968D+02 -0.565041D+01 -0.103864D+02 -0.110093D+01 -0.325046D+01
      2   0.455969D+02 -0.159901D+01  0.242224D+01 -0.461528D+01  0.673794D+01
      3   0.170999D+02  0.724942D+01  0.796413D+01  0.571621D+01 -0.348748D+01
      4  -0.714209D+01 -0.163125D+02 -0.530535D+01  0.155658D+01  0.174492D+01
      5  -0.686443D+00 -0.248416D+01 -0.165996D+02 -0.235650D+02  0.579845D+01
      6  -0.118200D+02 -0.224649D+01 -0.910860D+00  0.188999D+01 -0.459070D+01
                51            52            53            54            55 
      1  -0.900123D+01  0.385679D+02 -0.496290D+01 -0.164382D+02  0.287376D+02
      2   0.100295D+02 -0.403162D+02 -0.584947D+00  0.212127D+02 -0.169390D+02
      3  -0.102829D+01  0.174829D+01  0.554785D+01 -0.477453D+01 -0.117986D+02
      4   0.717529D+01 -0.246820D+02  0.553773D+01  0.942873D+01 -0.668524D+01
      5   0.668510D+01 -0.603724D+02  0.438379D+01  0.445475D+02 -0.193853D+02
      6   0.386463D+01  0.119553D+02 -0.628534D+01 -0.696847D+01  0.197149D+01
                56            57            58            59            60 
      1  -0.284907D+01 -0.105870D+02 -0.209644D+02 -0.749430D+00  0.298926D+01
      2   0.268386D+01  0.724912D+01  0.135931D+02  0.842444D+00 -0.323112D+01
      3   0.165211D+00  0.333788D+01  0.737136D+01 -0.930142D-01  0.241858D+00
      4   0.121211D+02  0.491158D+01  0.214315D+02 -0.138840D+02 -0.205498D+02
      5   0.407620D+01  0.205992D+02  0.172424D+02 -0.201781D+02 -0.111117D+02
      6  -0.140166D+01 -0.122962D+01 -0.101290D+02  0.795150D+01  0.132293D+02
                61            62            63            64            65 
      1  -0.672129D+02 -0.307037D+01  0.172055D+01 -0.302910D+02  0.197055D+02
      2   0.533045D+02  0.233113D+01 -0.316259D+02  0.661068D+01 -0.387293D+01
      3   0.139085D+02  0.739238D+00  0.299053D+02  0.236803D+02 -0.158325D+02
      4   0.134274D+02 -0.160175D+02 -0.141946D+02  0.208454D+02 -0.585305D+01
      5   0.668849D+02 -0.845578D+01 -0.764144D+02 -0.166868D+02  0.234197D+02
      6  -0.107309D+02  0.146586D+02  0.884148D+01  0.864980D+01 -0.104209D+02
                66            67            68            69            70 
      1  -0.116617D+02  0.140167D+02  0.502273D+01  0.345678D+02 -0.224216D+02
      2  -0.967489D+00  0.174044D+01 -0.386829D+00 -0.253166D+02  0.175260D+01
      3   0.126292D+02 -0.157571D+02 -0.463590D+01 -0.925125D+01  0.206690D+02
      4   0.282671D+02 -0.104065D+02  0.647955D+01  0.120044D+02  0.343712D+02
      5   0.669862D+01  0.245957D+02  0.172275D+02 -0.135872D+02  0.418146D+01
      6  -0.865089D+01 -0.633853D+01 -0.107634D+02 -0.848377D+01 -0.733704D+01
                71            72            73            74            75 
      1   0.355677D+02  0.293614D+01 -0.506732D+02 -0.160171D+02 -0.127459D+02
      2  -0.254779D+02  0.870021D+00  0.215188D+02  0.911591D+01 -0.349209D+01
      3  -0.100898D+02 -0.380616D+01  0.291544D+02  0.690123D+01  0.162380D+02
      4   0.845006D+01 -0.618971D+01 -0.212194D+02  0.222698D+01 -0.312932D+01
      5  -0.997050D+01  0.623030D+01 -0.159543D+02 -0.378360D+01  0.102052D+02
      6  -0.886169D+01 -0.266821D+00 -0.268233D+01 -0.364878D+01  0.636802D+01
                76            77            78            79            80 
      1  -0.144686D+02  0.110988D+02 -0.407684D+01 -0.172442D+01 -0.274019D+01
      2   0.115296D+02 -0.601389D+01  0.111120D+02 -0.649400D+01  0.834019D+01
      3   0.293897D+01 -0.508495D+01 -0.703518D+01  0.821842D+01 -0.559999D+01
      4   0.109985D+02  0.261014D+02  0.146744D+02  0.686024D+00  0.741957D+01
      5  -0.586650D+01  0.222706D+02 -0.509626D+01  0.133870D+02 -0.585639D+01
      6   0.449367D+01  0.100999D+02  0.146495D+01  0.540457D+01 -0.573974D+00
                81            82            83            84            85 
      1   0.223531D+02 -0.109923D+02 -0.999021D+01 -0.947705D+01 -0.102327D+02
      2  -0.231063D+01  0.180002D+02  0.253942D+02  0.146707D+02  0.223229D+02
      3  -0.200425D+02 -0.700793D+01 -0.154040D+02 -0.519368D+01 -0.120902D+02
      4  -0.237926D+01  0.944569D+01  0.100142D+02  0.111496D+02  0.212075D+02
      5  -0.102770D+02  0.226287D+01  0.118623D+02 -0.156720D+02  0.126090D+02
      6  -0.801134D+01  0.164318D+01  0.135667D+02 -0.130600D+02  0.599254D+01
                86            87            88            89            90 
      1   0.114348D+02  0.101232D+02 -0.274566D+02  0.112965D+02 -0.979304D+01
      2  -0.113692D+02 -0.868614D+01  0.306614D+02 -0.910857D+01  0.612281D+01
      3  -0.655318D-01 -0.143704D+01 -0.320488D+01 -0.218794D+01  0.367023D+01
      4   0.102780D+02  0.617480D+01  0.215841D+02  0.131599D+02 -0.978726D+01
      5  -0.110186D+01  0.168530D+00 -0.207499D+02 -0.522014D+01  0.496639D+01
      6  -0.624489D+01 -0.290601D+01 -0.166647D+02 -0.512219D+01  0.700738D+01
                91            92            93            94            95 
      1  -0.144537D+02  0.811208D+01  0.410891D+02  0.188892D+02  0.122970D+02
      2   0.546128D+01 -0.220271D+01 -0.194611D+02 -0.154319D+02 -0.102362D+02
      3   0.899240D+01 -0.590937D+01 -0.216281D+02 -0.345722D+01 -0.206080D+01
      4   0.139919D+02  0.132330D+02  0.117984D+02 -0.392047D+01 -0.292809D+02
      5   0.473160D+02  0.109694D+02 -0.206154D+01  0.136745D+02 -0.271789D+02
      6   0.675133D+01  0.450383D+01  0.249648D+01 -0.334478D+01 -0.994287D+01
                96            97            98            99           100 
      1   0.110841D+02  0.588435D+02  0.102414D+02 -0.193501D+02  0.859118D+02
      2  -0.165029D+02 -0.277149D+02 -0.125658D+02  0.145387D+02 -0.428358D+02
      3   0.541874D+01 -0.311286D+02  0.232442D+01  0.481140D+01 -0.430759D+02
      4  -0.292718D+02  0.131335D+02 -0.223552D+02  0.116838D+02  0.331451D+02
      5   0.180695D+02 -0.226776D+02  0.120724D+02 -0.281969D+02  0.267812D+02
      6  -0.901136D+01  0.362749D+01 -0.509110D+01  0.595833D+01  0.716975D+01
               101           102           103           104           105 
      1   0.141567D+02  0.139379D+02  0.625366D+01  0.700197D+01  0.121150D+01
      2  -0.404969D+01 -0.884677D+01 -0.427540D+00  0.569786D+00 -0.119099D+01
      3  -0.101070D+02 -0.509115D+01 -0.582612D+01 -0.757175D+01 -0.205089D-01
      4   0.190083D+02  0.737597D+01  0.152787D+02  0.663012D+01  0.226866D+01
      5   0.620039D+01  0.154203D+02  0.327304D+01  0.173050D+01  0.191702D+01
      6   0.440258D+01  0.408500D+01  0.303740D+01  0.562835D+00  0.237966D+01
               106           107           108           109           110 
      1   0.227790D+01  0.912608D+00  0.499724D+01  0.157849D+01  0.460968D+01
      2  -0.249966D+01 -0.215291D+01 -0.522872D+01 -0.299926D+01 -0.280259D+01
      3   0.221759D+00  0.124030D+01  0.231479D+00  0.142077D+01 -0.180709D+01
      4   0.202558D+01 -0.579958D+00  0.450850D+01  0.205499D+01 -0.201705D+01
      5   0.113418D+02  0.357532D+01  0.669447D+01  0.308992D+01  0.692305D-01
      6   0.294205D+01  0.193652D+01  0.293396D+01  0.283529D+01 -0.268410D+01
               111           112           113           114           115 
      1   0.101992D+02  0.191091D+01 -0.639890D+01 -0.310115D+01  0.745715D+01
      2   0.638913D+00 -0.138462D+01  0.229740D+01  0.101163D+01 -0.422351D+01
      3  -0.108381D+02 -0.526285D+00  0.410150D+01  0.208951D+01 -0.323364D+01
      4   0.108689D+01  0.151221D+01  0.964697D+00  0.292019D+01  0.338425D+01
      5  -0.404960D+01  0.137048D+01  0.175560D+01  0.382184D+01  0.591319D+01
      6  -0.488809D+01 -0.732581D+00  0.393101D+01  0.920577D+01  0.993256D+00
               116           117           118           119           120 
      1  -0.569386D+01 -0.234765D+02  0.188495D+00 -0.129489D-02 -0.249487D+01
      2   0.655390D+00 -0.123160D+02 -0.407641D+01 -0.151142D+00 -0.617794D+00
      3   0.503847D+01  0.357925D+02  0.388791D+01  0.152437D+00  0.311266D+01
      4   0.728870D+01  0.684195D+01 -0.104828D+01  0.264256D+01 -0.285129D-02
      5   0.777288D+01  0.327495D+02  0.116561D+00  0.963176D+00  0.654915D+01
      6   0.961683D+01  0.193730D+02  0.573854D+00  0.378544D+00 -0.290430D+00
               121           122           123           124           125 
      1   0.764625D+00 -0.633141D+01 -0.413596D+01 -0.179175D+01 -0.138471D+01
      2  -0.567064D+00  0.244609D+01 -0.207725D+01  0.869939D+00 -0.226103D+01
      3  -0.197561D+00  0.388532D+01  0.621321D+01  0.921814D+00  0.364573D+01
      4   0.177215D+01 -0.178371D+01 -0.158117D+01 -0.340725D+00 -0.249584D+01
      5   0.132831D+01 -0.196229D+01 -0.248316D+01  0.565833D+01 -0.168337D+01
      6   0.201514D+00  0.111505D+01  0.618050D+01 -0.582771D+00  0.549347D+01
               126           127           128           129           130 
      1  -0.252617D+02 -0.684567D+01  0.191732D+02  0.247968D+01  0.100517D+02
      2  -0.131096D+02  0.879713D+01 -0.269908D+02 -0.340034D+01 -0.128134D+02
      3   0.383713D+02 -0.195146D+01  0.781761D+01  0.920663D+00  0.276175D+01
      4  -0.342723D+01 -0.433620D+01  0.155156D+01 -0.618571D+00  0.574494D+01
      5  -0.116214D+02  0.488308D+00 -0.118972D+01  0.139929D+01 -0.116109D+01
      6  -0.836613D+00  0.135074D+01 -0.283822D+01 -0.245788D+01 -0.122913D+01
               131           132           133           134           135 
      1  -0.353097D+02 -0.348003D+01  0.509665D+01 -0.986486D+01 -0.506677D+01
      2   0.542237D+02  0.499007D+01 -0.493442D+01  0.136928D+02  0.581934D+01
      3  -0.189140D+02 -0.151004D+01 -0.162229D+00 -0.382791D+01 -0.752575D+00
      4   0.986439D+01  0.574945D-01  0.585054D+00  0.246993D+01  0.248340D+01
      5   0.104214D+01  0.245639D+01  0.340156D+01  0.298074D+01  0.854730D+00
      6   0.461344D+01  0.784594D+01  0.532069D+00  0.965158D+01  0.364045D+01
               136           137           138           139           140 
      1   0.113010D+02  0.110278D+01 -0.218270D+01  0.299871D+01 -0.613589D+01
      2  -0.387856D+01  0.320806D+01 -0.807503D+00  0.379692D+00  0.116153D+02
      3  -0.742245D+01 -0.431084D+01  0.299020D+01 -0.337840D+01 -0.547941D+01
      4   0.172566D+02  0.151115D+02 -0.115828D+02  0.112897D+02  0.134788D+02
      5  -0.153680D+02 -0.977109D+01  0.162459D+02 -0.651941D+01 -0.942062D+01
      6  -0.971761D+01 -0.918864D+01  0.110972D+02 -0.733417D+01 -0.105208D+02
               141           142           143           144           145 
      1   0.246727D+01  0.435333D+00  0.637109D+01 -0.570006D+01 -0.685075D+01
      2  -0.439658D+01 -0.329961D+01 -0.875421D+01  0.141496D+00 -0.334170D+01
      3   0.192931D+01  0.286427D+01  0.238312D+01  0.555856D+01  0.101924D+02
      4  -0.996877D+01 -0.182502D+02 -0.170325D+02  0.157876D+02  0.626641D+01
      5   0.808510D+01  0.188652D+02  0.138209D+02 -0.229558D+02 -0.218521D+01
      6   0.101826D+02  0.146659D+02  0.169289D+02 -0.219539D+02 -0.367683D+01
               146           147           148           149           150 
      1  -0.361171D+01  0.109996D+02  0.101559D+01 -0.200050D+01 -0.580631D+01
      2   0.593978D+01  0.390773D+01  0.325577D+01 -0.484922D-01 -0.141016D+01
      3  -0.232807D+01 -0.149073D+02 -0.427136D+01  0.204899D+01  0.721647D+01
      4  -0.589733D+00 -0.606959D+01 -0.174694D+01  0.259951D+01  0.164871D+01
      5  -0.121294D+01  0.149339D+01 -0.838572D+00 -0.551912D+00  0.249777D+01
      6  -0.202450D+01  0.575928D+01 -0.118558D+01  0.250563D+01  0.776401D+00
               151           152           153           154           155 
      1   0.848898D+01 -0.867423D+00 -0.164310D+02  0.163620D+02 -0.190254D+01
      2   0.394006D+01 -0.206886D+01 -0.788215D+01 -0.807711D+01 -0.321082D+01
      3  -0.124290D+02  0.293628D+01  0.243132D+02 -0.828491D+01  0.511336D+01
      4  -0.794339D+01  0.262635D+01  0.478439D+01 -0.280259D+02  0.225777D+02
      5   0.393061D+01 -0.124665D+01  0.364958D+01  0.250069D+02 -0.147390D+02
      6   0.283401D+01  0.431449D+01 -0.902277D+01 -0.136576D+02  0.137183D+02
               156           157           158           159           160 
      1   0.243092D+01 -0.175725D+01 -0.321323D+01  0.137847D+01  0.406416D+01
      2  -0.392133D+01 -0.165005D+01  0.920537D+01 -0.156325D+01 -0.414843D+01
      3   0.149041D+01  0.340730D+01 -0.599215D+01  0.184788D+00  0.842642D-01
      4  -0.168840D+02  0.159527D+02 -0.167977D+02  0.106053D+02 -0.143949D+02
      5   0.210261D+02 -0.953861D+01  0.938189D+01 -0.845048D+01  0.173174D+02
      6  -0.137196D+02  0.937660D+01 -0.111515D+02  0.101002D+02 -0.105962D+02
               161           162           163           164           165 
      1   0.144071D+01 -0.232551D+01 -0.634481D+01 -0.117664D+02 -0.416665D-01
      2  -0.677173D+00 -0.465420D+01  0.827081D+01  0.175630D+02  0.353255D+01
      3  -0.763535D+00  0.697971D+01 -0.192600D+01 -0.579663D+01 -0.349089D+01
      4   0.113743D+02 -0.129342D+02  0.219879D+01  0.325854D+01 -0.961627D+00
      5  -0.113313D+02  0.185682D+02 -0.780072D+00 -0.413075D+01  0.144851D+00
      6   0.116014D+02 -0.145926D+02 -0.583390D+00 -0.100164D+00  0.269916D+01
               166           167           168           169           170 
      1  -0.689534D+01 -0.240502D+02 -0.314385D+01 -0.286129D+01 -0.113563D+02
      2   0.104326D+02  0.400651D+02  0.754334D+01  0.466288D+01  0.175986D+02
      3  -0.353729D+01 -0.160149D+02 -0.439949D+01 -0.180159D+01 -0.624229D+01
      4   0.527862D+01 -0.832940D+01  0.481410D+00  0.570253D+00 -0.405867D+01
      5  -0.415166D+01 -0.482950D+01 -0.402887D+01  0.164293D+00 -0.377101D+01
      6   0.771971D+00 -0.199305D+01  0.648339D+01  0.103528D+01  0.482812D+01
               171           172           173           174           175 
      1  -0.448373D+01  0.172973D+02  0.459379D+01 -0.810230D+01  0.139711D+02
      2   0.562865D+01 -0.120438D+02 -0.536330D+01  0.958451D+01 -0.121451D+02
      3  -0.114491D+01 -0.525344D+01  0.769513D+00 -0.148220D+01 -0.182605D+01
      4  -0.932132D+00  0.290728D+01  0.700131D+01 -0.633979D+01  0.724465D+01
      5  -0.281053D+01 -0.130758D+02 -0.876259D+01  0.137689D+02 -0.164835D+02
      6   0.539400D+01 -0.180924D+01 -0.751977D+00  0.117772D+01 -0.952433D+00
               176           177           178           179           180 
      1   0.397754D+01 -0.904162D+01 -0.966643D+01 -0.633549D+01  0.532441D+01
      2  -0.608022D+01  0.136653D+02  0.124060D+02  0.101899D+02 -0.170505D+02
      3   0.210268D+01 -0.462367D+01 -0.273955D+01 -0.385437D+01  0.117261D+02
      4   0.161491D+02 -0.101520D+02 -0.643542D+01 -0.107240D+02  0.830056D+01
      5  -0.124049D+02  0.198543D+02  0.190569D+02  0.116504D+02 -0.289841D+02
      6  -0.528579D+01  0.403055D+01  0.883699D+00  0.588287D+01 -0.112843D+01
               181           182           183           184           185 
      1  -0.332738D+01 -0.128526D+02 -0.748291D+01 -0.964560D+01 -0.207153D+02
      2   0.298744D+01  0.934499D+01  0.303328D+01  0.420288D+01  0.211672D+02
      3   0.339932D+00  0.350760D+01  0.444963D+01  0.544272D+01 -0.451992D+00
      4  -0.993492D+00 -0.393822D+01 -0.482716D+01  0.695640D+01 -0.240788D+02
      5   0.211159D+01 -0.388538D+01 -0.403760D+01  0.235625D+01 -0.134405D+02
      6   0.205061D+01  0.776469D+01  0.690504D+01 -0.103494D+00  0.205982D+02
               186           187           188           189           190 
      1  -0.151138D+02 -0.389039D+01 -0.155573D+02 -0.134753D+02  0.701717D+02
      2   0.886954D+01  0.263402D+01  0.932445D+01  0.256502D+01 -0.273780D+02
      3   0.624426D+01  0.125637D+01  0.623285D+01  0.109103D+02 -0.427937D+02
      4  -0.136329D+02  0.137580D+00 -0.133406D+02 -0.980753D+01 -0.388550D+02
      5  -0.113455D+02  0.434849D+01 -0.972446D+01 -0.150019D+02  0.227329D+01
      6   0.165194D+02  0.654401D+00  0.157911D+02  0.153958D+02 -0.128266D+01
               191           192           193           194           195 
      1  -0.204753D+02  0.101229D+02 -0.201760D+02  0.100795D+02 -0.526117D+01
      2   0.339496D+01 -0.183215D+01  0.270989D+01  0.128209D+01  0.124727D+01
      3   0.170803D+02 -0.829074D+01  0.174662D+02 -0.113616D+02  0.401389D+01
      4   0.226453D+02 -0.694291D+01  0.246635D+02 -0.188430D+02  0.265966D+01
      5  -0.246878D+01  0.111431D+02 -0.192104D+01 -0.114306D+00 -0.342698D+01
      6   0.214875D+00 -0.307688D+01  0.441765D-01  0.101176D+01  0.400502D+01
               196           197           198           199           200 
      1   0.285259D+02 -0.100576D+02  0.869430D+01 -0.161380D+01 -0.100571D+01
      2  -0.919677D+01  0.182675D+01 -0.362438D+01  0.193127D+01  0.773895D+00
      3  -0.193291D+02  0.823082D+01 -0.506992D+01 -0.317469D+00  0.231812D+00
      4  -0.192410D+02  0.112280D+02 -0.610189D+01  0.479056D+00  0.119681D+01
      5   0.989379D+01 -0.361776D+01  0.922507D+01 -0.807998D+00  0.576149D+00
      6  -0.303497D+01  0.323120D+01 -0.369275D+01  0.110870D+01 -0.133080D-01
               201           202           203           204           205 
      1  -0.120729D+01 -0.234487D+01 -0.106705D+01 -0.430385D+01 -0.572633D+01
      2   0.100272D+01 -0.156554D+01  0.478838D+00  0.220178D+01  0.276480D+01
      3   0.204568D+00  0.391042D+01  0.588210D+00  0.210207D+01  0.296153D+01
      4   0.901941D+00  0.162557D+00 -0.113188D+01 -0.182616D+01  0.997825D+00
      5   0.175869D+01  0.554157D+00 -0.115857D+01 -0.516160D+00  0.833841D+00
      6   0.107181D+00 -0.122742D+01  0.313934D+01  0.314481D+01  0.120392D+01
               206           207           208           209           210 
      1  -0.567547D+01 -0.123570D+02  0.244580D+01  0.206807D+01  0.546276D+01
      2   0.398624D+01  0.191466D+01 -0.339072D+01 -0.115442D+01 -0.206305D+01
      3   0.168923D+01  0.104423D+02  0.944918D+00 -0.913648D+00 -0.339971D+01
      4  -0.127868D+01 -0.243481D+01  0.261681D+01  0.134827D+01  0.156574D+01
      5  -0.156889D+01 -0.435220D+01  0.528967D+01  0.176048D+01  0.462254D+01
      6   0.488037D+01  0.702005D+01  0.172407D+01 -0.127621D+00  0.587588D+00
               211           212           213           214           215 
      1   0.236972D+01 -0.357333D+01 -0.370626D+01  0.199466D+01 -0.438055D+01
      2  -0.409239D+01  0.332972D+00 -0.188502D+01 -0.371402D+01 -0.401922D+00
      3   0.172267D+01  0.324036D+01  0.559129D+01  0.171936D+01  0.478247D+01
      4  -0.234839D+01  0.129955D+01  0.205566D+01  0.321911D+01  0.344196D+01
      5   0.465156D+01  0.288011D+01  0.643828D+01  0.788342D+01  0.529624D+01
      6  -0.158331D+01  0.250194D+01  0.388431D+01  0.226950D+01  0.615833D+01
               216           217           218           219           220 
      1  -0.191064D+02  0.312752D+01  0.790029D+01 -0.160000D+00  0.209957D+02
      2  -0.830347D+01 -0.418927D+00 -0.545460D+01 -0.108334D+00 -0.624323D+01
      3   0.274099D+02 -0.270859D+01 -0.244568D+01  0.268333D+00 -0.147524D+02
      4   0.410126D+01  0.290182D+01 -0.192397D+00 -0.156829D+01  0.213344D+02
      5   0.212394D+02 -0.250313D+01 -0.904309D+00  0.994797D-01  0.926762D+01
      6   0.601135D+01  0.193375D+01 -0.130951D+01 -0.158509D+01  0.492321D+01
               221           222           223           224           225 
      1  -0.883972D+01 -0.329212D+01  0.690130D+01 -0.375153D+01  0.135969D+01
      2   0.209937D+02  0.461413D+01 -0.384326D+01  0.325824D+01 -0.177968D+01
      3  -0.121540D+02 -0.132201D+01 -0.305804D+01  0.493293D+00  0.419987D+00
      4   0.584731D+02  0.219239D+02  0.424706D+01  0.174284D+02  0.112863D+02
      5   0.204237D+02  0.154913D+02  0.133189D+02  0.114589D+02  0.180001D+02
      6   0.173148D+02  0.117342D+02  0.208686D+01  0.987842D+01  0.647286D+01
               226           227           228           229           230 
      1   0.160698D+02 -0.622000D+01  0.638436D+01 -0.193175D+02  0.185667D+01
      2  -0.111712D+02  0.394876D+01 -0.518383D+01  0.127235D+02 -0.175378D+01
      3  -0.489853D+01  0.227124D+01 -0.120053D+01  0.659402D+01 -0.102887D+00
      4  -0.684574D+01  0.428012D+01 -0.527077D+01  0.130469D+02 -0.142896D+02
      5   0.823650D+01 -0.597575D+01  0.113854D+02 -0.169164D+02  0.185350D+02
      6  -0.276690D+01  0.545748D+00 -0.743915D+00  0.451447D+01 -0.596541D+01
               231           232           233           234           235 
      1  -0.568797D+01  0.230602D+02 -0.140101D+00  0.976634D+01  0.967053D+02
      2   0.995397D+01 -0.178036D+02  0.525252D+01 -0.217278D+02 -0.459813D+02
      3  -0.426599D+01 -0.525657D+01 -0.511242D+01  0.119614D+02 -0.507240D+02
      4   0.197260D+02 -0.513961D+01  0.195832D+02 -0.164967D+02  0.675786D+01
      5  -0.261545D+02  0.331347D+02 -0.152478D+02  0.549457D+02 -0.188442D+02
      6   0.877413D+01 -0.286870D+01  0.720384D+01 -0.671505D+01 -0.286119D+01
               236           237           238           239           240 
      1   0.222782D+01 -0.231332D+02 -0.468665D+01  0.825530D+01 -0.621029D+00
      2   0.721292D-01  0.977453D+01  0.333727D+01 -0.250377D+01  0.928493D+00
      3  -0.229995D+01  0.133587D+02  0.134938D+01 -0.575153D+01 -0.307463D+00
      4   0.132246D+02 -0.262439D+01  0.131447D+02  0.299715D+01 -0.177189D+01
      5  -0.171867D+01  0.174222D+02 -0.696083D+00 -0.134447D+01 -0.228414D+01
      6   0.187794D+00  0.182747D+01 -0.286018D+00  0.601810D+00  0.235753D+01
               241           242           243 
      1  -0.507231D+02 -0.279479D+01  0.192377D+02
      2   0.240200D+02  0.122294D+01 -0.107740D+02
      3   0.267031D+02  0.157185D+01 -0.846370D+01
      4  -0.524202D+01 -0.733662D+01  0.462519D+00
      5   0.222161D+02 -0.790520D-01 -0.166181D+02
      6   0.247904D+01  0.178911D+01 -0.243406D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132295D+03      0.196041D+02      0.218125D+02
   aniso      0.619068D+02      0.917364D+01      0.102071D+02
   xx         0.172704D+03      0.255921D+02      0.284751D+02
   yx         0.550529D+01      0.815800D+00      0.907700D+00
   yy         0.110219D+03      0.163328D+02      0.181727D+02
   zx         0.316347D+01      0.468778D+00      0.521586D+00
   zy         0.299819D+01      0.444286D+00      0.494334D+00
   zz         0.113962D+03      0.168874D+02      0.187897D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132295D+03      0.196041D+02      0.218125D+02
   aniso      0.619068D+02      0.917364D+01      0.102071D+02
   xx         0.157508D+03      0.233403D+02      0.259696D+02
   yx        -0.864393D+01     -0.128090D+01     -0.142519D+01
   yy         0.110056D+03      0.163086D+02      0.181457D+02
   zx         0.249528D+02      0.369762D+01      0.411415D+01
   zy        -0.325020D+01     -0.481630D+00     -0.535886D+00
   zz         0.129322D+03      0.191635D+02      0.213222D+02

 ----------------------------------------------------------------------
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 Until you make peace with who you are,
 you'll never be content with what you have.
                           -- Doris Mortman
 Job cpu time:       0 days 15 hours 32 minutes 44.6 seconds.
 Elapsed time:       0 days  1 hours 56 minutes 51.1 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:44:00 2021.
